AMBER Gurus,
Just had a devil of a time trying to sort out a problem with a Replica
Exchange run. Turns out that there was a typo in one of the input
files such that two replicas were running at the same temperature. So,
everything ran great until the first exchange was supposed to happen
then the job hung. More importantly -- no useful error message or
output.
Perhaps R.E. runs could do a little sanity checking of the input prior
to running?
Cheers,
Brent
__________________________________________________________________
Brent P. Krueger phone: 616 395 7629
Assistant Professor fax: 616 395 7118
Hope College
Department of Chemistry
Holland, MI 49423
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Received on Mon Apr 18 2005 - 13:53:00 PDT
