[gmx-users] query related to rerunning MD
ymr79in at yahoo.co.in
Mon Jan 28 09:57:47 CET 2008
A query related to rerunning MD.
For eg: After 5ns run of MD I need to rerun from 3ns
and I take the structure closest to it from the
trajectory files. Taking this 3ns.gro as the starting
structure I redo all the steps for preparation. In
such a case, I am assuming that the velocity will be
taken into account and I need not generate velocity
Am I right?
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