AMBER Archive (2009)

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

From: Bill Ross (ross_at_cgl.ucsf.edu)
Date: Mon Aug 10 2009 - 20:17:05 CDT

> 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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