AMBER Archive (2008)
Subject: RE: AMBER: NAB conjgrad returns error?
From: Carra, Claudio (JSC-SK)[USRA] (claudio.carra-1_at_nasa.gov)
> I got the following problem by trying to run an optimization with NAB.
...does the same error occur when you use the serial version (no openmp
I guess I'm only using the serial at the moment.
...which version are you running (the latest being distributed with
yes, 1.2 with the latest patch updates.
> readparm(m, "6ssDNA.top");
ok, that was just one of the trial test I did, but I got
...If you could mail me all the input files, I'd be happy to take a
they are attached
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