[gmx-users] Where is the GROMOS87 force field when using pdb2gmx
maria goranovic
mariagoranovic at gmail.com
Wed Nov 7 16:48:46 CET 2007
Hi,
I am trying to use pdb2gmx to make a topology file for my protein
using gromos87 (ffgmx). However, when I run pdb2gmx, I only get the
following options. Where is GROMOS87 ??????
0: GROMOS96 43a1 force field
1: GROMOS96 43b1 vacuum force field
2: GROMOS96 43a2 force field (improved alkane dihedrals)
3: GROMOS96 45a3 force field (Schuler JCC 2001 22 1205)
4: GROMOS96 53a5 force field (JCC 2004 vol 25 pag 1656)
5: GROMOS96 53a6 force field (JCC 2004 vol 25 pag 1656)
6: OPLS-AA/L all-atom force field (2001 aminoacid dihedrals)
7: [DEPRECATED] Gromacs force field (see manual)
8: [DEPRECATED] Gromacs force field with hydrogens for NMR
9: Encad all-atom force field, using scaled-down vacuum charges
10: Encad all-atom force field, using full solvent charges
--
Maria G.
Technical University of Denmark
Copenhagen
More information about the gromacs.org_gmx-users
mailing list