Re: [AMBER] Found an invalid periodicity in the prmtop file : MMPBSA

From: David A Case <>
Date: Wed, 11 Dec 2019 13:42:09 -0500

On Wed, Dec 11, 2019, venkat wrote:

>Dihedral value is zero affecting run. For remove that, I bit
>confused, checked in the note pad , flag name DIHEDRAL_PHASE (many of them
>is zero) and DIHEDRAL_PERIODICITY (none of them is zero).

DIHEDRAL_PERIODICITY should never be zero. Can you remove that from
your force field? [A term with zero periodicity would just add a
constant to the total energy....]


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Received on Wed Dec 11 2019 - 11:00:03 PST
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