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

[friendli]

I think I have found the answer by adding " flags = flags | TRX_READ_V |
TRX_READ_F ;".

thanks to all.

On Sat, Nov 29, 2008 at 12:53 PM, friendli <friendli2000 at gmail.com> wrote:

> 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
>> > _______________________________________________
>> > gmx-users mailing list    gmx-users at gromacs.org
>> > http://www.gromacs.org/mailman/listinfo/gmx-users
>> > Please search the archive at http://www.gromacs.org/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/mailing_lists/users.php
>> >
>>
>>
>>
>> --
>> Tsjerk A. Wassenaar, Ph.D.
>> Junior UD (post-doc)
>> Biomolecular NMR, Bijvoet Center
>> Utrecht University
>> Padualaan 8
>> 3584 CH Utrecht
>> The Netherlands
>> P: +31-30-2539931
>> F: +31-30-2537623
>>  _______________________________________________
>> gmx-users mailing list    gmx-users at gromacs.org
>> http://www.gromacs.org/mailman/listinfo/gmx-users
>> Please search the archive at http://www.gromacs.org/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/mailing_lists/users.php
>>
>
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20081130/a5a46301/attachment.html>