On Thu, Oct 13, 2011 at 2:18 AM, Antje Wolf
<antje.wolf.scai.fraunhofer.de>wrote:
> Hi Bill,
>
> does this hold only for SMD or for any kind of MD? I always thought a
> restart file is simply writing out coords and velocities in regular
> intervals. So what is the difference then from using the last snapshot saved
> in the crd file?
>
No velocities.
>
> Antje
>
> ----- Ursprüngliche Mail -----
> | > You can pick the last frame form the mdcrd and create your new
> | > restart.
> |
> | Note that if you do this, you will have to re-equilibrate from
> | scratch.
> |
> | Bill
> |
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>
> --
> Antje Wolf
>
> Fraunhofer-Institute for Algorithms and Scientific Computing (SCAI)
> Department Bioinformatics
> Schloss Birlinghoven
> D-53754 Sankt Augustin
>
> Tel.: +49 2241 14 2552
> E-mail: antje.wolf.scai.fraunhofer.de
> Internet: http://www.scai.fraunhofer.de
>
>
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--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Thu Oct 13 2011 - 07:30:04 PDT
