[MMTK] restart from solvation example

Davide Ricci phd.davide.ricci at gmail.com
Wed Mar 14 21:18:44 UTC 2007


Dear all,
I've just finished to run the example of solvation of a small molecule with
water molecules. I've got the "equilibration.nc" file, after a NPT run of
1000 steps. Now, I'd like to restart the job, for a NVT runs, from the last
configuration containing the molecule+ the water environment. How I can do
this ?

Bests
davide
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