Dear amber users,
I have met a problem about nmode calculation. In some systems, the minimization failed, and the error showed like this ".... RESTARTED DUE TO LINMIN FAILURE ...
". But it is strange that some nmode calculations could be done successfully using the same parameters. Could somebody tell me how to figure it out? Any response will be highly appreciated!
All the best,
fancy
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Received on Fri Sep 17 2010 - 19:30:04 PDT
