From: bqluan (bqluan_at_uiuc.edu)
Date: Fri Oct 13 2006 - 13:31:35 CDT
Dear all,
I found three entries for each diahedra in top_all22_sugar.inp. For
examples,
OHS CBS CTS OHS -4.9362 1 0.0
OHS CBS CTS OHS 0.2907 2 0.0
OHS CBS CTS OHS 0.4638 3 0.0
I am wondering which one NAMD takes in calculations of energy. Please
help. Thanks,
Binquan
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