[gmx-users] entropy vs time plot

Tsjerk Wassenaar tsjerkw at gmail.com
Tue May 20 19:35:04 CEST 2014


Hi Tarak,

You will have to use -b/-e to set the start and end times.

Cheers,

Tsjerk


On Tue, May 20, 2014 at 12:18 PM, tarak karmakar <tarak20489 at gmail.com>wrote:

> Dear All,
> Could anyone tell me how to plot configurational entropy as a function of
> simulation time?
> Do I need to manually specify the -dt(say after each 1 ns) during the
> g_covar and then do g_anaeig in each of the step?
>
> thanks,
> Tarak
> --
> Gromacs Users mailing list
>
> * Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> posting!
>
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> send a mail to gmx-users-request at gromacs.org.
>



-- 
Tsjerk A. Wassenaar, Ph.D.


More information about the gromacs.org_gmx-users mailing list