[gmx-users] Restarting a crashed MD run

[bmmothan at ucalgary.ca]

Hi,

I ran gmxcheck and 0 frames have velocities.

so it means it started from beginning?

Belquis


> bmmothan at ucalgary.ca wrote:
>> Hi Tsjerk,
>>
>> thank u for the answer. I checked my mdp file (nstvout=0). I just want
>> to
>> make sure that since  nstvout=0 in my mdp file, and I used tpbconv
>> means
>> that it generated the run from the beginning of the crashed run? not
>> the
>> last frame? i
>>
>>
> run gmxcheck on your trr file to see how many frames you have with
> velocities.
>
> --
> David.
> ________________________________________________________________________
> David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
> Dept. of Cell and Molecular Biology, Uppsala University.
> Husargatan 3, Box 596,  	75124 Uppsala, Sweden
> phone:	46 18 471 4205		fax: 46 18 511 755
> spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se
> ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
> _______________________________________________
> gmx-users mailing list    gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please search the archive at http://www.gromacs.org/search before
> posting!
> Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/mailing_lists/users.php
>
>
>