Re: AMBER: Simple Minimization - Error

From: David A. Case <>
Date: Thu, 3 Apr 2008 13:11:13 -0700

On Thu, Apr 03, 2008, wrote:

> I am trying to perform simple minimization but my .out file shows error
> Unit 10 Error on OPEN: refc.

You have set ntr=1, which means you must use the -ref flag to specify the
location of the coordinates that you want the structure to be constrained to.
These are often the same as the input coordinates, but don't need to be.


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Received on Fri Apr 18 2008 - 21:16:34 PDT
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