[gmx-users] trjconv => -[no]vel => print out the velocity ?

[Justin A. Lemkul]

Chih-Ying Lin wrote:
> 
> 
> 
> Hi
> Trjconv => with option   "- [no] vel "
> 
> what does the bracket "no" mean ?
> 

It indicates a boolean: -novel means do not write velocities, -vel means write 
velocities.  Therefore, the presence or absence of a prefixed "no" determines 
the value.

> 
> with the following command,
> trjconv -f MD.trr -s MD.tpr  -vel   -o MD-test.gro
> 
> 
> the velocity is not print out on MD-test.gro.
> 
> How to print out both the velocity and trajectory at the same time from 
> .trr file?
> 

Did you actually save velocities in the .trr file (using nstvout > 0 in the .mdp 
file)?  Does gmxcheck indicate that there are velocities in the .trr file?

-Justin

> 
> THank you
> Lin
> 
> 
> 
> 

-- 
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Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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