[gmx-users] C500 Configuration and parameters help
Mark Abraham
Mark.Abraham at anu.edu.au
Sat Jul 28 05:17:41 CEST 2007
ROHIT MALSHE wrote:
> Hi all,
>
> I am in need of simulating C500 molecules in bulk.
>
> 10000 Particles is a good number for me for testing some order parameter codes.
>
> Does anyone have relevant .gro, .itp, .mdp, .top files for the same ? It will be a great help.
I'll offer you long odds against anybody having this lying around. You
should search the literature for the procedure adopted by other such
simulators, adapt that to your needs, and possibly approach them to see
if they will share resources.
Mark
More information about the gromacs.org_gmx-users
mailing list