[gmx-users] gromacs forcefield option

David van der Spoel spoel at xray.bmc.uu.se
Mon Sep 12 20:42:59 CEST 2016


On 12/09/16 20:31, niharendu choudhury wrote:
> Dear friends,may be a naive question.
> If we do not give the option
> define _FF_AMBER (i.e. if this line in the forcefield file is commented)
>
> what "force field equations" will the GROMACS
> use?
It is determined by the rest of the topology.
Please read chapters 4 & 5 in the manual.
The define has little impact.

> Sincerely =======================================
> Dr. Niharendu Choudhury
>  Theoretical Chemistry Section
> Chemistry Group
> Bhabha Atomic Res. Ctr.
> Mumbai 400 085, India
> Ph # 91-22-2559-2675
>  Home: A-12, RANJANI,
> Anushaktinagar
> Mumbai- 400 094 India Tel # 91-22-2552-7832
>


-- 
David van der Spoel, Ph.D., Professor of Biology
Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205.
spoel at xray.bmc.uu.se    http://folding.bmc.uu.se


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