[gmx-users] gmx velacc

[Justin Lemkul]

On 1/2/18 7:38 AM, dgfd dgdfg wrote:
> Hi. This is my first letter to this list, sorry.
> version:  :-) GROMACS - gmx help, 2016.4 (-:
> Problem with velacc command ( http://manual.gromacs.org/documentation/2016.4/onlinehelp/gmx-velacc.html  ).
> In the folder with calculated long trajectory I input:
>
> gmx velacc -f traj.trr -mol -b 10 -e 20
>
> and select necessary group after question
>
> GROMACS output:
>
> Split group of 147 atoms into 1 molecules
> trr version: GMX_trn_file (single precision)
> Last frame         -1 time    0.000
> Last frame         -1 time 1100.000
> Not enough frames in trajectory - no output generated.
>
>
> What is wrong in my input and why "Last frame" is printed twice?
>

What does gmx check tell you about the contents of traj.trr? Are there 
sufficient frames between 10 and 20 ps? Did you save velocities?

-Justin

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Justin A. Lemkul, Ph.D.
Assistant Professor
Virginia Tech Department of Biochemistry

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