Re: [AMBER] How to use GAFF2?

From: Alexander Izvorski <aizvorski.gmail.com>
Date: Fri, 4 Dec 2020 11:24:17 -0800

On Fri, Dec 4, 2020 at 5:29 AM David A Case <david.case.rutgers.edu> wrote:

> The order should not matter. I think the problem was that in your first
> example, you did "check LIG" before loading the lig.frcmod file, and
> that led to errors that made tleap think it couldn't complete all the
> required tasks.
>
>
Ah, okay, that makes sense.

Would you like me to try to update the sustiva tutorial to use gaff2 and
ff14SB?

-Alex
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Received on Fri Dec 04 2020 - 11:30:04 PST
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