[gmx-users] velocity was not present from trjconv

[Justin Lemkul]

On 2/12/13 9:32 AM, Albert wrote:
> On 02/12/2013 03:28 PM, Justin Lemkul wrote:
>> Extract it from the .cpt file that corresponds to that frame.
>>
>> -Justin
>
> thanks a lot for such helpful comments. I found that the md production produced
> two .cpt file:
>
>   state.cpt
> state_prev.cpt
>
> I am not sure which one would be the one I need.... Do you have any idea for this?
>

gmxcheck is your friend, as well as the wiki.

http://www.gromacs.org/Documentation/File_Formats/Checkpoint_File

A checkpoint file is always written at the last step of the simulation, which 
seems to be what you were asking for previously.

-Justin

-- 
========================================

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

========================================