[gmx-users] print out the velocities and forces using template.c

[friendli]

I have checked with gmxcheck and velocities and forces are output in .trr. I
am playing template.c to try to learn more about GMX.

I read gmx_traj.c, but not quite understand.
Can you give me a example, for instance the flags to be set in template.c to
read the velcocities?

thank you

Qiang

On Fri, Nov 28, 2008 at 1:41 AM, Tsjerk Wassenaar <tsjerkw at gmail.com> wrote:

> Hi Qiang,
>
> You'll have to check whether the frame contains velocities (fr.bV ==
> TRUE) or forces (fr.bF == TRUE). Also make sure you set the flags
> right to read velocities/forces. Check the source of g_traj or trjconv
> for examples.
>
> Cheers,
>
> Tsjerk
>
> On Fri, Nov 28, 2008 at 10:33 AM, Mark Abraham <Mark.Abraham at anu.edu.au>
> wrote:
> > friendli wrote:
> >>
> >> Dear all users,
> >>
> >> A silly question:
> >>
> >> I want to print out the velocities and forces in the trajectories using
> >> template.c.
> >
> > g_traj or gmxdump do that.
> >
> > Mark
> > _______________________________________________
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>
>
>
> --
> Tsjerk A. Wassenaar, Ph.D.
> Junior UD (post-doc)
> Biomolecular NMR, Bijvoet Center
> Utrecht University
> Padualaan 8
> 3584 CH Utrecht
> The Netherlands
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