[gmx-users] velocity was not present from trjconv
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.
> thanks a lot for such helpful comments. I found that the md production produced
> two .cpt file:
> 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.
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
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