From: Morad Alawneh (alawneh_at_chem.byu.edu)
Date: Tue Jan 03 2006 - 14:28:22 CST
*Thanks for your replying.
I am using both vmd 1.8.4b6 and namd 2.6b1.
when executing my script, I got this message
ERROR! FAILED TO RECOGNIZE CMAP
This is my script :
# Delete any previous molecules
mol delete all
resetpsf
# Make psfgen package available to be called by vmd
package require psfgen
# Use the specified topology file.
topology top_all27_prot_lipid.inp
#topology 22/top_all22_lipid.inp
# Build one segment of lipid.
segment LIP {
first NONE
last NONE
residue 1 DMPC }
# Give coordinates for one atom.
coord Lip 1 N {0.0 0.0 0.0}
# Guess the positions of missing atoms, as long as
# all the heavy atoms are present.
guesscoord
# Write out the psf file
writepsf charmm dmpc.psf
# Write out the pdb file
writepdb dmpc.pdb
Thanks*
John Stone wrote:
> Hi,
> The latest PSF reader plugin for VMD already reads PSF files
> that contain the CMAP option. If you have trouble using these files
> with either an update VMD 1.8.3, or with the latest test versions of
> VMD 1.8.4 please let me know. Jim can answer in regards to the NAMD side
> of things.
>
> John
>
> On Tue, Jan 03, 2006 at 12:45:41PM -0700, Morad Alawneh wrote:
>
>> When is CMAP algorithm be implemented in both VMD and NAMD, in order to
>> be able to use the new charmm parameter files, 27?
>>
>> Thanks
>> --
>>
>>
>>
>> /*Morad Alawneh*/
>>
>> *Department of Chemistry and Biochemistry*
>>
>> *C100 BNSN, BYU*
>>
>> *Provo, UT 84602*
>>
>>
>
>
-- /*Morad Alawneh*/ *Department of Chemistry and Biochemistry* *C100 BNSN, BYU* *Provo, UT 84602*
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