[gmx-users] about tc_grps in mdp file...

Justin Lemkul jalemkul at vt.edu
Fri Nov 2 11:26:37 CET 2012

On 11/2/12 1:13 AM, rama david wrote:
> Dear all,
>   I am running a system with sol 40646 atom and ion, NA 629 CL 634.
> At the time of nvt and npt should i have to make different *tc_grps* for
> ion and sol or should be make one group
> Nonprotein ( these include sol + ion)..these is default.




Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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