[gmx-users] phase shifts during dihedral fitting

maria goranovic mariagoranovic at gmail.com
Mon Aug 2 12:39:57 CEST 2010


Why are the phase shifts while making dihedral parameters always 0 or 180,
for example near the unsaturated bond of a lipid ? I am trying to fit a
function to a dihedral, and my phase shifts are more like 45 and 30 and 120
degrees and the like. Is there any convenience behind using 0 or 180? How
essential is that?

Maria G.
Technical University of Denmark
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