Re: [AMBER] questions about thermodynamic integration atom name and order

From: David A Case <case.biomaps.rutgers.edu>
Date: Wed, 7 Nov 2012 09:36:44 -0500

On Tue, Nov 06, 2012, Jason Swails wrote:

>
> Another possibility is to use -prepc instead of -prepi (which I would
> assume has less of a reason to re-order atoms).

Ugh. Please do this *only* if the mol2 format option doesn't work, and prepc
does.

...dac


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Received on Wed Nov 07 2012 - 07:00:02 PST
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