[gmx-users] Doubt Reg. Selection of force field and pdb2gmx program

csreddy at ncbs.res.in csreddy at ncbs.res.in
Wed Nov 7 12:01:33 CET 2007

Dear All,
When I run the pdb2gmx (pdb2gmx -f xxx.pdb -ignh) it is asking to select a
force field which is shown below.

 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

I wanted to select option 7 "7: [DEPRECATED] Gromacs force field (see
manual)", but I am confused by "[DEPRECATED]", why this message and what
dose it mean?

Thanks in advance


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