Re: restart NAMD job

From: Cesar Luis Avila (
Date: Fri Mar 23 2007 - 10:10:54 CDT

Jianhui Tian escribió:
> Hi namd users,
> My namd job is terminated for some building shutdown reason. I will
> need to restart the job from where it stopped last time. For
> restarting, you will need to use
> myjob.restart.coor
> myjob.restart.vel
> myjob.restart.xsc.
> But "the bincoordinates option must be used in addition to the
> coordinates option, but the positions specified by coordinates will
> then be ignored." This is no myjob.coor file there of course. How do I
> deal with it? Thanks a lot.
> Jianhui
Don't worry. As you said when coordinates and bincoordinates are
specified, the former will be ignored, but they must be specified or
your simulation won't start. For coordinate just use the same pdb with
which you started the simulation.

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