Re: restarting a simulation accurately

From: Charles Danko (dankoc_at_gmail.com)
Date: Sat Jan 08 2005 - 15:06:24 CST

Using the velocity or binvelocity command you can specify the velocity
file. You can search previous threads on thsi forum for more
information. Also, you can specify where the last simulation started
using the "firsttimestep" parameter. Look in the namd users guide for
more details on this.

Good luck!
Charles

On Sat, 8 Jan 2005 15:32:41 -0500, Stern, Julie <jvstern_at_bnl.gov> wrote:
> Hello,
> Does anyone know how to continue a job from the
> restart files where the velocity information will be
> read as well as the coordinate information?
> Also, if just the coordinate information is read (with
> 'coordinates filename', how would you explain that type of restart, all
> atoms start from the same place but are kicked in a different direction -
> and is this even a repeatable simlation? Would it obtain the velocity
> info anyway by default from the beta column of the coordinate file or
> does it have to be read in from the .vel file?
>
> Thanks.
>
> --Julie
>

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