[AMBER] torsions in parm10.dat

From: Jeffrey Teillet <jteillet.laas.fr>
Date: Tue, 02 Jun 2015 10:28:58 +0200


I'm a french student who's studying de parametrization of the
ambertools14 software for the purpose of a work experience.
I'm mailing you since you could help me understand some points.

I don't understand those torsions :

/X -CT -N2 -X 6 0.00 0.0// JCC,7,(1986),230/

There are a lot of torsions with no energy. Is the torsion exist ? How
to take those torsions in consideration with no energy ? Maybe there's
something important i can't notice.

Thanks a lot for answering me, last time was very instructive.
Best regards,

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Received on Tue Jun 02 2015 - 01:30:02 PDT
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