Re: [AMBER-Developers] Leap inconsistencies with wildcard torsion (surprise)

From: Jason Swails <>
Date: Fri, 13 Nov 2015 10:01:43 -0500

On Fri, Nov 13, 2015 at 9:57 AM, Carlos Simmerling <> wrote:

> another option might be to make sure the specific definitions include
> something for each periodicity (up to some reasonable number that might be
> in the generics, like 4). it could use amplitude 0 if that's what it wants.
> might be better than leaving it undefined and assuming that means 0.

​Still doesn't address user frcmod files silently doing unexpected
things... (in fact, it might make that even more likely.)

Also, I think we support up to 6 for periodicity. It'll add a lot of
zero-terms, but should have a negligible effect on overall performance.

All the best,

Jason M. Swails
Rutgers University
Postdoctoral Researcher
AMBER-Developers mailing list
Received on Fri Nov 13 2015 - 07:30:03 PST
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