> There are "***" characters in the restart file. If I generate new restart
> files from the last frame of the simulation without velocity, does it change
> a lot my dynamics?
It creates a new simulation - you need to do a full equilibration
to get 'correct' velocities. The proper thing to do is probably
re-do the last run with iwrap=1, and if you can't center your
solute successfully using ptraj, modify ptraj or write your own
program to center properly.
Bill
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Received on Tue Aug 16 2011 - 16:30:04 PDT
