[gmx-users] Doubt Reg. Selection of force field and pdb2gmx program
Mark Abraham
Mark.Abraham at anu.edu.au
Wed Nov 7 13:09:04 CET 2007
csreddy at ncbs.res.in wrote:
> 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?
http://en.wikipedia.org/wiki/Deprecated
Mark
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