Hi,
In the frcmod files for various four-point water models, there are some
parameters that have zero force constant or torsional barrier height. For
example, in tip4pew there are:
HW-OW-EP 0.0 120.0
HW-HW-OW 0. 127.74
X -HW-OW-X 2 0.0 0.0 1.0
Do these parameters serve any purpose in the software?
Thank you,
Rosemary
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Received on Wed Feb 16 2022 - 09:00:02 PST
