VMD-L Mailing List

From: Hai-Jun Su (haijunsu_at_iastate.edu)
Date: Tue Feb 06 2007 - 20:26:53 CST

Hi,

Where do I get the file "top_all22_prot.inp"? I am trying to use psfgen to
generate psf file for NAMD.

My 1tbe_psfgen.in looks like this

topology /aws/chem/NAMD_2.6/toppar/top_all22_prot.inp
alias residue HIS HSD
alias atom ILE CD1 CD
alias atom GLY OXT OT1
segment TBE { pdb 1TBE_chainA.pdb }
coordpdb 1TBE_chainA.pdb TBE
guesscoord
writepdb 1tbe.pdb
writepsf 1tbe.psf

Hai-Jun Su, Ph.D.
Virtual Reality Application Center
2274 Howell Hall, Room 1620
Iowa State University
Ames, IA 50011-2274
Tel: (515)294-4883, Fax: (515)294-5530
Email: haijunsu_at_iastate.edu