AMBER Archive (2008)

Subject: Re: AMBER: Simple Minimization - Error

From: David A. Case (case_at_scripps.edu)
Date: Thu Apr 03 2008 - 15:11:13 CDT

On Thu, Apr 03, 2008, dpandit_at_brandeis.edu 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.

...dac

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