Re: AMBER: How to transfer unformatted coordinates into formatted ones

From: David A. Case <case.scripps.edu>
Date: Wed, 7 May 2008 18:14:04 -0700

On Wed, May 07, 2008, Qi Yan wrote:
>
> Does anybody know how to transfer an unformatted coordinate file into
> formatted one?

You can do a 0-step minimization in sander (actually equivalent to a 1-step
minimization), and read in the unformatted file and write out a formatted one.

Haven't tried this, but it should work...good luck...dac

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Received on Sun May 11 2008 - 06:07:19 PDT
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