[gmx-users] snapshot

Rama Krishna Koppisetti ramkishna72 at gmail.com
Mon Jul 15 15:02:47 CEST 2013


Hi,

The following command I used for the snapshots but I'm getting one frame
time 0 time 500. what are the changes I need to do in the command to get
snapshots in equal intervals of time for ex: 250ps. My production MD
trajectory was 15ns.
g_trjconv -s md.tpr -f md.trr -o beta.gro -skip 1 -dt 0 -dump 0 -sep


Thanks in Advance.

Rama


On Mon, Jul 15, 2013 at 2:02 AM, Dr. Vitaly Chaban <vvchaban at gmail.com>wrote:

> look for either "-dt" or "-skip".
>
>
>
>
> Dr. Vitaly V. Chaban
>
>
> On Mon, Jul 15, 2013 at 2:03 AM, Rama <ramkishna72 at gmail.com> wrote:
>
> > Hi,
> >
> > How to get a snapshots in equal intervals of time (250ps) from production
> > MD
> > trajectory. I'm using -sep , -t0, -timestep but output came only one .gro
> > file.
> >
> >
> >
> > --
> > View this message in context:
> > http://gromacs.5086.x6.nabble.com/snapshot-tp5009837.html
> > Sent from the GROMACS Users Forum mailing list archive at Nabble.com.
> > --
> > gmx-users mailing list    gmx-users at gromacs.org
> > http://lists.gromacs.org/mailman/listinfo/gmx-users
> > * Please search the archive at
> > http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
> > * Please don't post (un)subscribe requests to the list. Use the
> > www interface or send it to gmx-users-request at gromacs.org.
> > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
> >
> --
> gmx-users mailing list    gmx-users at gromacs.org
> http://lists.gromacs.org/mailman/listinfo/gmx-users
> * Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
> * Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-users-request at gromacs.org.
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>



More information about the gromacs.org_gmx-users mailing list