Hi,
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:
trajin mdcrd
trajout frame restart
go
all of the velocities are 0.000000. Did I do something wrong? How do I
get the restart files with the velocities as I was expecting? Thanks for
your help.
Sid
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Received on Tue Jan 24 2012 - 16:30:03 PST
