Re: [AMBER] TI in vacuum

From: <>
Date: Tue, 8 Feb 2011 12:43:29 -0500 (EST)


hm, only minimizations are affected? but still, the code should not hang
without an error message at all and especially not on only one process.
Just out of curiosity, would a normal TI-MD work ok for one of the cases
where the minimization fails? If you do say 300 steps of min and then
start the MD? I know that's no solution, but would be interesting to


Dr. Thomas Steinbrecher
formerly at the
BioMaps Institute
Rutgers University
610 Taylor Rd.
Piscataway, NJ 08854

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Received on Tue Feb 08 2011 - 10:00:17 PST
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