Re: [AMBER-Developers] Near-final version of AmberTools 1.3

From: Andreas Goetz <agoetz.sdsc.edu>
Date: Mon, 21 Dec 2009 00:38:33 -0800

>> I made changes to the sqm manual. I removed typos and all references to
>> GB or PME since this is not supported in sqm. This should be updated in
>> the at3 branch. Thanks.
>
> Done. However, I had thought GB *was* supported in the current code. If not,
> we should make that a high priority for the next release.

It should be easy to do but at present igb=0 is hardcoded and the &cntrl
namelist is not read. We should be able to have this working for the
next release.

All the best,
Andy


-- 
Dr. Andreas W. Goetz
San Diego Supercomputer Center
Tel  : +1-858-822-4771
Email: agoetz.sdsc.edu
Web  : www.awgoetz.de
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Received on Mon Dec 21 2009 - 01:00:03 PST
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