[gmx-users] entropy vs time plot

[tarak karmakar]

Hi Tsjerk,
Thanks for the quick reply.
I did the following

g_covar -f ../../npt_prod -s ../../npt_prod -n loop_II.ndx -o eigenval -v
eigenvec.trr -av average.pdb -b 0 -e 10000
g_anaeig -v eigenvec -entropy -temp 300 -b 0 -e 10000

What I want to plot is similar to this.
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC1304994/figure/fig4/

Is there any flag for this?
I've checked g_covar -h and g_anaeig -h but didn't get the proper way.

Thanks,
Tarak



On Tue, May 20, 2014 at 11:04 PM, Tsjerk Wassenaar <tsjerkw at gmail.com>wrote:

> 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.
> --
> 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.
>