Hi,
I've been looking through some of the prmtop files created in my system
and some of the dihedral pointers are negative, the first place I found
the dihedrals used is in ene.f and in this intance the sign of the
pointer is discarded. What purpose does the sign serve?
Regards,
Martin Stennett
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Received on Sun Sep 02 2007 - 06:07:16 PDT
