AMBER Archive (2006)

Subject: Re: AMBER: converting from parm to parm7

From: David A. Case (case_at_scripps.edu)
Date: Sun Jul 23 2006 - 09:47:05 CDT

On Fri, Jul 21, 2006, Raffaella D'Auria wrote:
>
> I was wondering if anyone is aware of a way to convert an old parm.top
> file into the new parm7 format.

I'd be interested to know why this conversion is necessary. All Amber
programs should be able to auto-detect and read either format. If there
is an Amber program that is not doing this correctly, we should try to fix it;
if it is a third-party program, I'd be interested to know which one it is.

...thx...dac

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