AMBER Archive (2004)

Subject: Re: AMBER: minimization problem

From: David A. Case (
Date: Sat Sep 25 2004 - 13:43:49 CDT

On Sat, Sep 25, 2004, hj zou wrote:

> When I want to minimize a liand with water,it doesnot work.The following
> is the part of output information.

There are no errors or problems in the part of the output that you supplied.
A good thing is to compare your inputs and outputs with those from the
dhfr.min test case (in $AMBERHOME/test/dhfr). This is also a minimization in

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