[gmx-users] GROMOS54A8 parameters in GROMACS format

lloyd riggs lloyd.riggs at gmx.ch
Thu Feb 14 11:18:17 CET 2013


Dear Stephane Abel,

Theres a link I on the gromacs web site to ATB, or you can google it.  If it is not in Gromacs format you can just write a couple 6 liner scripts to re-format it by parsing into the gromacs format,

Stephan Watkins

-------- Original-Nachricht --------
> Datum: Wed, 13 Feb 2013 21:25:33 +0000
> Von: ABEL Stephane 175950 <Stephane.ABEL at cea.fr>
> An: "gmx-users at gromacs.org" <gmx-users at gromacs.org>
> Betreff: [gmx-users] GROMOS54A8 parameters in GROMACS format

> Hello all, 
> 
> Does somebody know where i can find  the latest GROMOS force field (i.e.
> GROMOS54A8) described in [1]  in the GROMACS format (gromos54a7.ff) ? 
> 
> [1] Reif et al. J. Chem. Theory Comput. 2013, 9, 1247−1264 doi:
> http://pubs.acs.org/doi/citedby/10.1021/ct300156h
> 
> Thank you
> 
> Stephane



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