[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


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

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