On Thu, Jan 24, 2008, rebeca.mmb.pcb.ub.es wrote:
> I am trying to do Replica Exchange Molecular dynamics using Amber 9.0 and I am
> having problems in the execution.
There are quite a few examples in the amber9/test/rem_* directories. Make
sure that "make test.sander.REM" gives good results for your system, and study
those examples to see how (if at all) they differ from your inputs. That
might provide a clue.
Also, just run short versions of these jobs on a desktop machine (i.e. without
the queuing system.) It sometimes happens that outputs or errors get lost
that you could see if you ran it manually.
...good luck...dac
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Received on Sun Jan 27 2008 - 06:07:20 PST
