VMD-L Mailing List

From: wolfinbm_at_uci.edu
Date: Wed Dec 27 2006 - 17:24:59 CST

Hello Ioana,
Yes, I think the PDB of the PET (aka PETE) sample would be extremely
helpful. Please send me the pdb of the PET sample, if possible.

Thanks and Best,
Matt

> Hi Matt,
>
> I don't quite know how this message ended up in my Inbox and it's
> unclear if it was directly addressed to me or not. However I think I
> might help you as I have previously worked on the PET polymer (if PETE
> means PET aka polyethylene terephthalate). I understand from your e-mail
> below that you want to build an amorphous PET polymeric membrane? I have
> a paper coming out in JPC-B in which the generation, charges and
> simulation of PET is thoroughly described. I used the Dreiding force
> field (Mayo, Olafson and Goddard, JPC 94, 1990) to perform the MD
> simulations. I used the Rotational Isomeric State (RIS) technique to
> generate the polymer and the Amorphous Builder/Cohesive Energy Density
> method to generate and equilibrate the amorphous samples. Charges on the
> monomer were calculated using Jaguar, by performing Mulliken population
> analysis. Several of such tools are included in the Cerius2 software
> package.
> I could send you the pdb of a PET sample if that would be of use.
>
> Let me know,
> Ioana
>
> wolfinbm_at_uci.edu wrote:
>> Hello Peter,
>> Thank you very much for your help. I already have some of what you
>> described, thanks to Dr. Ritz and one of his graduate assistants (see
>> attatchments). My main problem right now (I think) is getting PETE
>> monomers connected together to make a polymer.
>>
>> Thanks and Best,
>> Matt
>>
>>
>>> Hi Matt,
>>> you'll need to deal with two separate issues to get what you want:
>>> 1) creating a proper topology for the PETE polymer
>>> 2) getting coordinates for the membrane of interest
>>>
>>> Before getting started, you'll want to make sure you've read the namd
>>> tutorial (including appendices) and topology file tutorials at
>>> http://www.ks.uiuc.edu/Training/Tutorials/. Doing what you want to is
>>> still somewhat complicated; we're currently working on things like
>>> arbitrary polymer builders that will make it much easier. For now,
>>> though, you'll still have to do some things by hand, which is where the
>>> tutorials are useful.
>>>
>>> Dealing with these in order:
>>> 1. Building up pretty much any polymer using VMD/psfgen is done just
>>> like a polypeptide. If you look at the topology file entries for any of
>>> the amino acids, you'll see that bonds are specified to -C and +N --
>>> these denote bonds to the previous and next monomers in the polymer
>>> chain. You need to first generate a topology file entry for your PETE
>>> monomer, and then add the proper bonds to cause it to be connected in a
>>> chain (and also make terminal patches, like NTER and CTER, to properly
>>> cap the ends of your polymer). You can get the PETE monomer topology
>>> file using a molefacture function: In the tkcon, enter
>>> ::Molefacture::write_topfile pete.top $sel
>>> where $sel is an atomselect object containing your PETE monomer. If
>>> your
>>> version of molefacture doesn't have this let me know and I'll send you
>>> the latest alpha (which also has this command present in the file
>>> menu).
>>> You'll need to assign proper atom types either in molefacture or by
>>> editing the topology file, and then add the bonds necessary for
>>> polymerization. Armed with this topology file, feeding a pdb file
>>> containing several PETE monomers to psfgen will let you build a
>>> polymer.
>>>
>>> Since we're talking about a pdb file with the proper coordinates, this
>>> leads us neatly into
>>> 2. Getting the coordinates. You'll need to generate a pdb file
>>> containing the coordinates for some section of the membrane you want.
>>> Since I really don't know what a PETE membrane would look like, the
>>> best
>>> I can do is recommend the following steps:
>>> -Write a single pete monomer as a pdb from vmd
>>> -Use your favorite text editor or filter to make a pdb file with many
>>> copies of it, with consecutive residue numbering
>>> -Load that composite pdb into vmd, and use either the mouse or movement
>>> commands to move the residues into the appropriate places for a pete
>>> membrane
>>> -Write the new pdb file, and then run it through psfgen to get the
>>> polymer of interest
>>>
>>> Once you've got a single membrane layer generated, you can look at
>>> making several chains with different size holes punched in them to
>>> generate the different layers.
>>>
>>> Peter
>>>
>>
>>
>>
>>
>>
>> ------------------------------------------------------------------------
>>
>> Subject:
>> PET force field & topolgy files etc.
>> From:
>> Harindar Keer <hkeer_at_uci.edu>
>> Date:
>> Fri, 28 Jul 2006 17:21:25 -0700
>> To:
>> Thorsten Ritz <tritz_at_uci.edu>
>>
>> To:
>> Thorsten Ritz <tritz_at_uci.edu>
>>
>> Content-Type:
>> multipart/mixed; boundary="=-GBRiOICDGWP7dWh/5t8D"
>> Message-ID:
>> <1154132484.4239.14.camel_at_watson.ps.uci.edu>
>> MIME-Version:
>> 1.0
>> X-Mailer:
>> Ximian Evolution 1.4.6 (1.4.6-2)
>>
>>
>> Dear Dr. Thorsten,
>>
>> Please find attached the files related to PET (polyethylene
>> terephthalate) project With Dr. Ziwy. Fortunately, I found force field
>> for benzoic acid in Charmm, after hint from Alex Mackerell.
>> This enabled me to prepare force fields for the original PET molecule
>> without any modification.
>> Attached files are
>>
>> structure file: PET_psfgen.psf
>> coordinate file: PET_psfgen.pdb
>> topology file : PET.top
>> parameter file: PET.par
>> NAMD configuration file : PET.conf
>>
>> Also, I wanted to check with you if I can go ahead and get in touch with
>> Joseph (MPC facility) to get cluster moved to MPC.
>>
>> Regards,
>> Harindar
>>
>>
>>
>>
>>
>> ------------------------------------------------------------------------
>>
>> *>CHARMM22 All-Hydrogen Parameter File for Proteins and Lipids <<
>> *>>>>> Includes phi, psi cross term map (CMAP) correction <<<<<<<
>> *>>>>>>>>>>>>>>>>>>>>>> July, 2003 <<<<<<<<<<<<<<<<<<<<<<<<<<
>> * All comments to ADM jr. via the CHARMM web site: www.charmm.org
>> * parameter set discussion forum
>> *
>>
>> BONDS
>> !
>> !V(bond) = Kb(b - b0)**2
>> !
>> !Kb: kcal/mole/A**2
>> !b0: A
>> !
>> !atom type Kb b0
>> !
>> CAP CAP 370.000 1.3600 ! pyridines
>> HP CAP 340.000 1.0800 ! benzene
>> CAP CC 200.000 1.5000 ! nicotinic acid (pyridine carboxylate)
>> OC CC 525.000 1.2600 ! ALLOW PEP POL ARO ION
>> ! adm jr. 7/23/91, acetic acid
>> OC CT2x 340.0 1.43 ! phosphate lipid section
>> !LPPC : OSL CTL2
>> CT2x HA2 309.00 1.111 ! alkanes, lipid section
>> !LPPC : CTL2 HAL2
>> CT2x CT3x 222.500 1.528 ! alkanes, 3/92 lipid section
>> !LPPC : CTL2 CTL3
>> CT3x HA3 322.00 1.111 ! alkanes, 4/98 lipid section
>> !LPPC : CTL3 HAL3
>>
>> ANGLES
>> !
>> !V(angle) = Ktheta(Theta - Theta0)**2
>> !
>> !V(Urey-Bradley) = Kub(S - S0)**2
>> !
>> !Ktheta: kcal/mole/rad**2
>> !Theta0: degrees
>> !Kub: kcal/mole/A**2 (Urey-Bradley)
>> !S0: A
>> !
>> !atom types Ktheta Theta0 Kub S0
>> !
>>
>> CAP CAP CAP 90.00 122.00 30.00 2.3880 ! pyridine
>> HP CAP CAP 30.00 119.00 22.00 2.15250 ! pyridine
>> CC CAP CAP 40.00 119.00 35.00 2.41620 ! nicotinic acid
>> (pyridine carboxylate)
>> CAP CC OC 40.00 118.00 50.00 2.3880 !! nicotinic acid
>> (pyridine carboxylate)
>> OC CC OC 100.000 124.00 70.00 2.22500 ! ALLOW POL ION
>> PEP ARO
>> ! adm jr. 7/23/91, correction, ACETATE (KK)
>> CC OC CT2x 40.0 109.6 30.0 2.2651 ! methyl acetate
>> ! LPPC CL OSL CTL2
>> OC CT2x HA2 60.0 109.5 ! phosphate
>> ! LPPC OSL CTL2 HAL2
>> OC CT2x CT3x 75.700 110.10 ! acetic acid
>> ! LPPC OSL CTL2 CTL3
>> HA2 CT2x CT3x 34.600 110.10 22.53 2.179 ! alkane, 4/98
>> !ETHANE
>> HA2 CT2x HA2 35.500 109.00 5.40 1.80200 ! alkane, 3/92
>> !ETHANE
>> HA3 CT3x CT2x 34.600 110.10 22.53 2.179 ! alkane, 4/98
>> !ETHANE
>> HA3 CT3x HA3 35.500 108.40 5.40 1.80200 ! alkane, 3/92
>> !ETHANE
>>
>>
>> DIHEDRALS
>> !
>> !V(dihedral) = Kchi(1 + cos(n(chi) - delta))
>> !
>> !Kchi: kcal/mole
>> !n: multiplicity
>> !delta: degrees
>> !
>> !atom types Kchi n delta
>> !
>> HP CAP CAP CAP 4.20 2 180.00 ! pyridines
>> HP CAP CAP HP 1.90 2 180.00 ! pyridines
>> CAP CAP CAP CAP 1.20 2 180.00 ! pyridines
>> CC CAP CAP CAP 3.10 2 180.00 ! pyridines
>> HP CAP CAP CC 4.20 2 180.00 ! aminopyridine
>> OC CC CAP CAP 3.10 2 180.00 ! nicotinic acid (pyridine
>> carboxylate)
>>
>> CAP CC OC CT2X 2.05 2 180.00 ! methyl acetate
>> ! X CL OSL X
>> ! This one would need more
>> calculation
>> CC OC CT2X HA2 0.00 3 0.00 ! phosphate, new NA, 4/98, adm jr
>> ! X CTL2 OSL X
>> CC OC CT2X CT3X 0.7 1 180.00 ! ethyl acetate, 12/92
>> ! CTL3 CTL2 OSL CL
>> OC CT2X CT3X HA3 0.160 3 0.00 ! alkane, 4/98, yin and
>> mackerell ! X CTL2 CTL3 X
>> OC CC OC CT2X 0.965 1 180.00 ! methyl acetate
>> ! OBL CL OSL CTL2
>> HA2 CT2X CT3X HA3 0.160 3 0.00 ! alkane, 4/98, yin and
>> mackerell ! X CT2x CT3x X
>>
>> IMPROPER
>> !
>> !V(improper) = Kpsi(psi - psi0)**2
>> !
>> !Kpsi: kcal/mole/rad**2
>> !psi0: degrees
>> !note that the second column of numbers (0) is ignored
>> !
>> !atom types Kpsi psi0
>> !
>> HP X X CAP 15.00 0 0.00 ! pyridine
>>
>> NONBONDED nbxmod 5 atom cdiel shift vatom vdistance vswitch -
>> cutnb 14.0 ctofnb 12.0 ctonnb 10.0 eps 1.0 e14fac 1.0 wmin 1.5
>> !adm jr., 5/08/91, suggested cutoff scheme
>> !
>> !V(Lennard-Jones) = Eps,i,j[(Rmin,i,j/ri,j)**12 - 2(Rmin,i,j/ri,j)**6]
>> !
>> !epsilon: kcal/mole, Eps,i,j = sqrt(eps,i * eps,j)
>> !Rmin/2: A, Rmin,i,j = Rmin/2,i + Rmin/2,j
>> !
>> !atom ignored epsilon Rmin/2 ignored eps,1-4
>> Rmin/2,1-4
>> !
>> CC 0.000000 -0.070000 2.000000 ! ALLOW PEP POL ARO
>> ! adm jr. 3/3/92, acetic acid heat of solvation
>> CT2x 0.0 -0.0560 2.010 0.0 -0.01 1.9 ! alkane, 4/98, yin,
>> adm jr.
>> CT3x 0.0 -0.0780 2.040 0.0 -0.01 1.9 ! alkane, 4/98, yin,
>> adm jr.
>> !pyridine series LJ parametes (see toppar_pyridines.str)
>> CAP 0.000000 -0.070000 1.992400 !
>> HP 0.000000 -0.030000 1.358200 0.000000 -0.030000
>> 1.358200 ! ALLOW ARO
>> ! JES 8/25/89 values from Jorgensen fit to hydration
>> energy
>> HA2 0.0 -0.028 1.3400 ! alkane, yin and mackerell, 4/98
>> HA3 0.0 -0.024 1.3400 ! alkane, yin and mackerell, 4/98
>>
>> OC 0.000000 -0.120000 1.700000 ! ALLOW POL ION
>> ! JG 8/27/89
>> END
>>
>> ------------------------------------------------------------------------
>>
>> *> CHARMM22 All-Hydrogen Topology File for Proteins and Lipids <<
>> *>>>>>> Includes phi, psi cross term map (CMAP) correction <<<<<<
>> *>>>>>>>>>>>>>>>>>>>>>> July 2004 <<<<<<<<<<<<<<<<<<<<<<<<<<
>> * All comments to ADM jr. via the CHARMM web site: www.charmm.org
>> * parameter set discussion forum
>> *
>> 31 1
>>
>> MASS 1 HP 1.00800 H ! aromatic H
>> MASS 2 HA2 1.00800 H ! alkane, CH2, new LJ params (see
>> toppar_all22_prot_aliphatic_c27.str)
>> MASS 3 HA3 1.00800 H ! alkane, CH3, new LJ params (see
>> toppar_all22_prot_aliphatic_c27.str)
>> MASS 4 CC 12.01100 C ! carbonyl C, asn,asp,gln,glu,cter,ct2
>> MASS 5 CT2x 12.01100 C ! aliphatic sp3 C for CH2, new LJ params
>> (see toppar_all22_prot_aliphatic_c27.str)
>> MASS 6 CT3x 12.01100 C ! aliphatic sp3 C for CH3, new LJ params
>> (see toppar_all22_prot_aliphatic_c27.str)
>> MASS 7 CAP 12.01100 C ! aromatic C for pyrimidines (see
>> toppar_all22_prot_pyridines.str)
>> MASS 8 OC 15.99900 O ! carboxylate oxygen
>>
>> AUTO ANGLES DIHE
>>
>> ! PET is divided into two fragments(groups) benzoic acid and ester
>> H-CO-O-CH2-CH3 and then fragements will be combined.
>>
>> RESI PET -1.00 ! Polyethylene terephthalate, anion
>>
>> GROUP
>> ATOM CZ CAP -0.115 !
>> ATOM CE1 CAP -0.115 !
>> ATOM CD1 CAP -0.100 !
>> ATOM CG CAP -0.115 !
>> ATOM CE2 CAP -0.100 !
>> ATOM CD2 CAP -0.115 !
>> ATOM HE1 HP 0.115 !
>> ATOM HG HP 0.115 !
>> ATOM HD2 HP 0.115 !
>> ATOM HZ HP 0.115 !
>> ATOM CD3 CC 0.620 !
>> ATOM O1 OC -0.760 !
>> ATOM O2 OC -0.760 !
>>
>> GROUP
>> ATOM CD4 CC 1.620 ! chnaged the charge of CC here from 0.62 to 1.62
>> (1.52 b/c of OCs + 0.1 of CE2) ##
>> ATOM O3 OC -0.760 !
>> ATOM O4 OC -0.760 !
>> ATOM C1 CT2x -0.18
>> ATOM H11 HA2 0.09
>> ATOM H12 HA2 0.09
>> ATOM C2 CT3x -0.27
>> ATOM H21 HA3 0.09
>> ATOM H22 HA3 0.09
>> ATOM H23 HA3 0.09
>>
>> BOND CD1 CG CD2 CG CE1 CD1
>> BOND CE2 CD2 CZ CE1 CZ CE2
>> BOND CG HG CD1 CD3 CD3 O1
>> BOND CD2 HD2 CE1 HE1
>> BOND CZ HZ
>> BOND CE2 CD4 CD4 O3 O3 C1
>> BOND C1 H11 C1 H12 C1 C2
>> BOND C2 H21 C2 H22 C2 H23
>>
>> DOUB CD3 O2 CD4 O4
>>
>> ------------------------------------------------------------------------
>>
>> #############################################################
>> ## JOB DESCRIPTION ##
>> #############################################################
>>
>> # Minimization of Chloroform box
>>
>>
>> #############################################################
>> ## ADJUSTABLE PARAMETERS ##
>> #############################################################
>>
>> structure PET_psfgen.psf
>> coordinates PET_psfgen.pdb
>>
>> if {1} {
>> set inputname pet_molecule
>> binCoordinates $inputname.restart.coor
>> #inVelocities $inputname.restart.vel
>> extendedSystem $inputname.restart.xsc
>> }
>>
>> set outputname pet_molecule_eqb
>> set temp 300
>> firsttimestep 0
>>
>>
>> #############################################################
>> ## SIMULATION PARAMETERS ##
>> #############################################################
>>
>> # Input
>> paraTypeCharmm on
>> parameters par_PET_molecule.inp #specifies Force field
>>
>>
>> temperature $temp
>>
>>
>> # Force-Field Parameters
>> exclude scaled1-4
>> 1-4scaling 1.0
>> cutoff 12.
>> switching on
>> switchdist 10.
>> pairlistdist 13.5
>>
>>
>> # Integrator Parameters
>> timestep 1.0 ;# 1fs/step
>> rigidBonds all ;# all needed for 2fs steps
>> nonbondedFreq 1
>> fullElectFrequency 2
>> stepspercycle 10
>>
>>
>> # Constant Temperature Control
>> #langevin on ;# do langevin dynamics
>> #langevinDamping 5 ;# damping coefficient (gamma) of 5/ps
>> #langevinTemp 410
>> #langevinHydrogen off ;# don't couple langevin bath to hydrogens
>>
>>
>> # Periodic Boundary Conditions
>>
>>
>>
>> # PME (for full-system periodic electrostatics)
>>
>> # Constant Pressure Control (variable volume)
>> #useGroupPressure yes ;# needed for rigidBonds
>> #useFlexibleCell no
>> #useConstantArea no
>>
>> #langevinPiston on
>> #langevinPistonTarget 1.01325 ;# in bar -> 1 atm
>> #langevinPistonPeriod 100.
>> #langevinPistonDecay 50.
>> #langevinPistonTemp 300
>>
>>
>> # Output
>> outputName $outputname
>>
>> restartfreq 5 ;# 500 steps = every 1ps
>> dcdfreq 5
>> xstFreq 5
>> outputEnergies 1
>> outputPressure 1
>>
>>
>> #############################################################
>> ## EXTRA PARAMETERS ##
>> #############################################################
>>
>>
>>
>> #############################################################
>> ## EXECUTION SCRIPT ##
>> #############################################################
>>
>> # equilibration
>>
>> run 1000
>>
>>
>>
>> ------------------------------------------------------------------------
>>
>> BIOGRF 332
>> REMARK NATOM 23
>> FORCEFIELD DREIDING
>> FORMAT ATOM
>> (a6,1x,i6,1x,a5,1x,a4,1x,a1,1x,i5,3f10.5,1x,a5,i3,i2,1x,f8.5,1x,f6.3,1x,f6.3,1x,i3,1x,a4)
>> ATOM 1 CZ PET A 1 30.84000 -10.25200 0.00000 CZ 0
>> 0 -0.11500 0.000 1.000 6 A
>> ATOM 2 CE1 PET A 1 30.84000 -8.41200 0.00000 CE1 0
>> 0 -0.11500 0.000 1.000 58 A
>> ATOM 3 CD1 PET A 1 29.24600 -7.49200 0.00000 CD1 0
>> 0 -0.10000 0.000 1.000 48 A
>> ATOM 4 CG PET A 1 27.65300 -8.41200 0.00000 CG 0
>> 0 -0.11500 0.000 1.000 6 A
>> ATOM 5 CE2 PET A 1 29.24600 -11.17200 0.00000 CE2 0
>> 0 -0.10000 0.000 1.000 58 A
>> ATOM 6 CD2 PET A 1 27.65300 -10.25200 0.00000 CD2 0
>> 0 -0.11500 0.000 1.000 48 A
>> ATOM 7 HE1 PET A 1 31.79400 -7.86200 0.00000 HE1 0
>> 0 0.11500 0.000 1.000 2 A
>> ATOM 8 HG PET A 1 26.69900 -7.86200 0.00000 HG 0
>> 0 0.11500 0.000 1.000 80 A
>> ATOM 9 HD2 PET A 1 26.69900 -10.80300 0.00000 HD2 0
>> 0 0.11500 0.000 1.000 1 A
>> ATOM 10 HZ PET A 1 31.79400 -10.80300 0.00000 HZ 0
>> 0 0.11500 0.000 1.000 1 A
>> ATOM 11 CD3 PET A 1 29.24600 -5.65300 0.00000 CD3 0
>> 0 0.62000 0.000 1.000 48 A
>> ATOM 12 O1 PET A 1 30.84000 -4.73300 0.00000 O1 0
>> 0 -0.76000 0.000 1.000 8 A
>> ATOM 13 O2 PET A 1 27.65300 -4.73300 0.00000 O2 0
>> 0 -0.76000 0.000 1.000 8 A
>> ATOM 14 CD4 PET A 1 29.24600 -13.01200 0.00000 CD4 0
>> 0 1.62000 0.000 1.000 48 A
>> ATOM 15 O3 PET A 1 27.65300 -13.93200 0.00000 O3 0
>> 0 -0.76000 0.000 1.000 8 A
>> ATOM 16 O4 PET A 1 30.84000 -13.93200 0.00000 O4 0
>> 0 -0.76000 0.000 1.000 8 A
>> ATOM 17 C1 PET A 1 27.65300 -15.77200 0.00000 C1 0
>> 0 -0.18000 0.000 1.000 6 A
>> ATOM 18 H11 PET A 1 28.22300 -16.10100 0.93100 H11 0
>> 0 0.09000 0.000 1.000 1 A
>> ATOM 19 H12 PET A 1 28.10700 -16.03400 -1.01200 H12 0
>> 0 0.09000 0.000 1.000 1 A
>> ATOM 20 C2 PET A 1 26.06000 -16.69200 0.00000 C2 0
>> 0 -0.27000 0.000 1.000 6 A
>> ATOM 21 H21 PET A 1 25.46200 -16.41600 0.93100 H21 0
>> 0 0.09000 0.000 1.000 1 A
>> ATOM 22 H22 PET A 1 25.46200 -16.41600 -0.93100 H22 0
>> 0 0.09000 0.000 1.000 1 A
>> ATOM 23 H23 PET A 1 26.26800 -17.81300 0.00000 H23 0
>> 0 0.09000 0.000 1.000 1 A
>> FORMAT CONECT (a6,14i6)
>> FORMAT ORDER (a6,i6,13f6.3)
>> CONECT 1 2 5 10
>> ORDER 1 1.000 1.000 1.000
>> CONECT 2 1 3 7
>> ORDER 2 1.000 1.000 1.000
>> CONECT 3 2 4 11
>> ORDER 3 1.000 1.000 1.000
>> CONECT 4 3 8 6
>> ORDER 4 1.000 1.000 1.000
>> CONECT 5 1 6 14
>> ORDER 5 1.000 1.000 1.000
>> CONECT 6 4 5 9
>> ORDER 6 1.000 1.000 1.000
>> CONECT 7 2
>> ORDER 7 1.000
>> CONECT 8 4
>> ORDER 8 1.000
>> CONECT 9 6
>> ORDER 9 1.000
>> CONECT 10 1
>> ORDER 10 1.000
>> CONECT 11 3 12 13
>> ORDER 11 1.000 1.000 1.000
>> CONECT 12 11
>> ORDER 12 1.000
>> CONECT 13 11
>> ORDER 13 1.000
>> CONECT 14 5 15 16
>> ORDER 14 1.000 1.000 1.000
>> CONECT 15 14 17
>> ORDER 15 1.000 1.000
>> CONECT 16 14
>> ORDER 16 1.000
>> CONECT 17 15 18 19 20
>> ORDER 17 1.000 1.000 1.000 1.000
>> CONECT 18 17
>> ORDER 18 1.000
>> CONECT 19 17
>> ORDER 19 1.000
>> CONECT 20 17 21 22 23
>> ORDER 20 1.000 1.000 1.000 1.000
>> CONECT 21 20
>> ORDER 21 1.000
>> CONECT 22 20
>> ORDER 22 1.000
>> CONECT 23 20
>> ORDER 23 1.000
>> VDW 1
>> VDW 2
>> VDW 3
>> VDW 4
>> VDW 5
>> VDW 6
>> VDW 7
>> VDW 8
>> VDW 9
>> VDW 10
>> VDW 11
>> VDW 12
>> VDW 13
>> VDW 14
>> VDW 15
>> VDW 16
>> VDW 17
>> VDW 18
>> VDW 19
>> VDW 20
>> VDW 21
>> VDW 22
>> VDW 23
>> LEWIS 1 -1
>> LEWIS 2 3
>> LEWIS 3 3
>> LEWIS 4 -1
>> LEWIS 5 3
>> LEWIS 6 3
>> LEWIS 7 1
>> LEWIS 8 1
>> LEWIS 9 0
>> LEWIS 10 0
>> LEWIS 11 3
>> LEWIS 12 -1
>> LEWIS 13 -1
>> LEWIS 14 3
>> LEWIS 15 0
>> LEWIS 16 -1
>> LEWIS 17 0
>> LEWIS 18 0
>> LEWIS 19 0
>> LEWIS 20 0
>> LEWIS 21 0
>> LEWIS 22 0
>> LEWIS 23 0
>> END
>
> --
> Ioana Cozmuta, Ph.D
> Senior Research Scientist
> Space Technology Division, code TSA
> Eloret Corporation, NASA Ames Research Center
> Mail Stop 230-3, Moffett Field, CA 94035
> phone (650) 604-0993
> e-mail: icozmuta_at_mail.arc.nasa.gov
> http://people.nas.nasa.gov/~ioana/home.html
>
>
>
>
> ___ ___
> / \ / \
> / \_HK_/ *** \
> | |
> | \/ O |
> |/ \|
> /\/ <> \/\
> / \___________ / \
>