Re: [AMBER] Specifying improper dihedrals

From: Bill Ross <ross.cgl.ucsf.edu>
Date: Wed, 17 Jun 2009 18:56:26 +0100

> my solution was to reverse the atom index order in the dihedral

I believe that with impropers the 3rd atom needs to be the central
one, at least in parm.dat/frcmod files. So I would maintain this
convention.

Bill

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Received on Mon Jul 06 2009 - 09:56:03 PDT
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