[gmx-users] velocity

Quyen V. Vu vuqv.phys at gmail.com
Mon May 28 20:40:39 CEST 2018


Maybe you checked .xtc file
Velocity is in .trr file

Quyen V. Vu

Web frontend developer

On Mon, May 28, 2018, 18:42 Mark Abraham <mark.j.abraham at gmail.com> wrote:

> Hi,
>
> Only if you asked for velocity information to be written to the trajectory,
> with nstvout
>
> Mark
>
> On Mon, May 28, 2018 at 1:06 PM Atila Petrosian <atila.petrosian at gmail.com
> >
> wrote:
>
> > Dear gromacs users,
> >
> > I did md simulation. I need to velocity values for each atoms in time
> > steps.
> >
> > Can I get this parameter from trajectory file directly?
> >
> > How to obtain that?
> >
> > Thanks
> > --
> > 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.
> >
> --
> 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.
>


More information about the gromacs.org_gmx-users mailing list