[gmx-users] velocity was not present from trjconv

Justin Lemkul jalemkul at vt.edu
Tue Feb 12 15:33:51 CET 2013

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.


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



Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


More information about the gromacs.org_gmx-users mailing list