AMBER Archive (2008)

Subject: RE: AMBER: stripping water from a restart file

From: Bill Ross (
Date: Fri Oct 24 2008 - 10:21:59 CDT

> 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.

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