Re: [AMBER] Re: How to solve the problem "RESTARTED DUE to LINMIN FAILURE"

From: Bill Ross <ross.cgl.ucsf.edu>
Date: Tue, 11 Aug 2009 02:17:05 +0100

> I still couldn't solve the "*RESTARTED DUE to LINMIN FAILURE" I had. ...
> Can someone show me how to solve this problem?

You could try ignoring the problem and go on to run your dynamics.

If you really care to solve it, running a couple of ps dynamics at
e.g. 10K might do the trick. Low-temp dynamics often works better
than minimization at lowering energy.

Bill

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Received on Wed Aug 19 2009 - 21:21:30 PDT
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