> I had no problem running SMD in explicit water using restart files =
> extracted from MD ...but trying to run the same simulation in vacuum =
> seems to be not straightforward at all ...
This is beyond my ability to diagnose. I would try running the non-parallel
version of sander to see if it makes a difference.
Bill
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Received on Sun Oct 26 2008 - 05:07:43 PDT
