Hello.
I am trying to do FEP calculations and in my run I set the idsx0 parameter to
-1 (how the mixed van der Waals parameters are calculated for
atom pairs where one atom vanishes). But when I look at my output file in the
CONTROL FLAG FOR THIS RUN, the idsx0 is set to 1. Is is a bug and is there any
way to go around it.
Thanks for the help
Sophia Kondratova
University of New Brunswick
Sophia Kondratova
Chemistry Graduate Student
University of New Brunswick
Fredericton, Canada
Received on Tue Dec 18 2001 - 10:23:15 PST
