[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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