Dear Colleagues,
In the frcmod file, is the phase shift always either 0 or +180?
How do I know which one it should be for a particular dihedral that is
for example -140 degrees when measured.
In addition, I do not understand clearly the periodicity value...can
it be for example 3.000 for all new dihedrals I define? (the system is
quite rigid and there should not be full rotation around bonds in
those dihedrals.
Thank you very much for your help.
Kind regards, Outi Salo-Ahen
--
Dr. Outi Salo-Ahen
Åbo Akademi University
Department of Biosciences, Biochemistry
Tykistökatu 6 A
FIN-20520 Turku
E-mail: outi.salo-ahen.abo.fi
Tel: +358-2-215 4009
Fax: +358-2-230 5018
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Received on Tue Jan 08 2013 - 05:00:03 PST
