[AMBER] Converting DL_POLY OPLS dihedral ff function to AMBER format

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From: Parker, Qamreen <qamreen.parker.13.ucl.ac.uk>
Date: Tue, 14 Jan 2014 10:06:37 +0000

Hi there!

I've been struggling with the ff file formats between dlpoly and amber especially the opls dihedral torsion part as the information I have is in dl_poly format, stating four constants for the opls function.
Amber however uses a different function completely for the dihedral function (even in the OPLS dat file) and I was wondering if there was a way I could convert between these two?

Thanks very much,

Qam

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Received on Tue Jan 14 2014 - 02:30:02 PST