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

2012-11-02 Thread Justin Lemkul
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.

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

2012-11-02 Thread rama david
thank you.. On Fri, Nov 2, 2012 at 3:56 PM, Justin Lemkul jalem...@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

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

2012-11-01 Thread rama david
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. With Best wishes and regards, Rama david --