AMBER Archive (2009)

Subject: Re: [AMBER] Specifying improper dihedrals

From: Bill Ross (ross_at_cgl.ucsf.edu)
Date: Wed Jun 17 2009 - 12:56:26 CDT


> 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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