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?
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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Received on Wed Oct 12 2011 - 23:30:02 PDT
