[gmx-users] Where is the GROMOS87 force field when using pdb2gmx

[David van der Spoel]

maria goranovic wrote:
> 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
> 
> 
if you really really really need it, it is still there. You can run 
pdb2gmx -ff gmx

-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se
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