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

rama david ramadavidgroup at gmail.com
Fri Nov 2 11:52:13 CET 2012


thank you..


On Fri, Nov 2, 2012 at 3:56 PM, Justin Lemkul <jalemkul at vt.edu> wrote:

>
>
> 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.
>>
>>
> http://www.gromacs.org/**Documentation/Terminology/**Thermostats<http://www.gromacs.org/Documentation/Terminology/Thermostats>
>
> -Justin
>
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