> I set up my simulation with the following flags: ioutfm = 1, ntwv = -1,
> with the expectation that I would be able to pull restart files from any of
> the frames saved in the mdcrd file. However, when I output the frames into
> individual restart files using ptraj:
The mdcrd only contains coordinates and does not properly handle the mdvel
(velocity dump) file. You can set NTWR < 0 and it will write out multiple
restart files every N steps if NTWR = -N.
--tec3
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Received on Tue Jan 24 2012 - 17:30:03 PST
