From: Dhiraj Srivastava (dhirajks_at_gmail.com)
Date: Sun Oct 08 2006 - 00:34:16 CDT
Hi all
sorry for the previous mail. actually the problem is in my structure
file. when i ma generating the structure file, i am getting the pdb file in
which values of B column are zero. my psfgen script is
package require psfgen
topology top_all27_prot_lipid.rtf
topology fad_top.inp
pdbalias residue HIS HSE
pdbalias atom ILE CD1 CD
pdbalias residue HOH TIP3
segment A {pdb chain_A.pdb}
coordpdb chain_A.pdb A
segment B {pdb chain_B.pdb}
coordpdb chain_B.pdb B
segment F {pdb FAD.pdb}
coordpdb FAD.pdb F
segment W {
auto none
pdb water.pdb}
pdbalias atom HOH O OH2
coordpdb water.pdb
#segment T {pdb TFB.pdb}
#coordpdb TFB.pdb T
guesscoord
#multiply 10 T
writepdb prodh1.pdb
writepsf prodh1.psf
exit
can anyone suggest me where is the problem. is there any proble in the
psfgen script or problem may be in the topology file.
-- Dhiraj Kumar Srivastava Department of Chemistry University of Missouri-Columbia MO, 65211 Ph. no. 001-573-639-0153
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