[gmx-users] problem in finding gromos53a6.ff

Nuno Azoia nazoia at gmail.com
Fri Jan 20 11:43:05 CET 2012


They are located in the directory where Gromacs were installed, something like

Gromacs_dir/share/gromacs/top/ForceField/

Change Gromacs_dir with the appropriated directory for your system and
ForceField for the force field you wish to use. If you are following
the tutorial it should be gromos53a6.ff.

Nuno Azoia

On Fri, Jan 20, 2012 at 10:31 AM, Anushree Tripathi
<anushritripathi at gmail.com> wrote:
> I am using gromacs 4.5.3 version and I am trying to follow the tutorials.
> For
>  starting I am following the *KALP15 in DPPC*
>
> tutorial(http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/gmx-tutorials/membrane_protein/02_topology.html).
>  But I am unable to locate following files in the Gromacs folder ..
>
>  aminoacids.rtp
>  aminoacids.hdb
>  aminoacids.c.tdb
>  aminoacids.n.tdb
>  aminoacids.r2b
>  aminoacids.vsd
>  ff_dum.itp
>  ffnonbonded.itp
>  ffbonded.itp
>  forcefield.itp
>  ions.itp
>
>  spc.itp
>  watermodels.dat
>
>
>  Please suggest me where can I find the following files.
>
>
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