On Tue, Feb 15, 2011, Yao-Chi Chen wrote:
> gbsa = 2,
OK: the key point is that you are using gbsa=2, which I did not realize
before; my tests were with gbsa=1. Now I can reproduce the problem, as
can other developers (just run a 1-step minimization with gbsa=2). We'll
have to try to track this down.
....dac
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Received on Tue Feb 15 2011 - 13:00:04 PST
