AMBER Archive (2006)

Subject: Re: AMBER: converting from parm to parm7

From: Carlos Simmerling (carlos_at_csb.sunysb.edu)
Date: Sat Jul 22 2006 - 06:27:10 CDT

there is information in the parm7 files that is not in the
old ones. the best way is to just rerun leap on your old
leap input.

Raffaella D'Auria wrote:

>Hello All,
>
>I was wondering if anyone is aware of a way to convert an old parm.top
>file into the new parm7 format. I guess tleap should have something to do
>with it...
>
>Any hints would be gretly apprecitated!
>
>Thanks :)
>
>Raffaella.
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