Dear GMXers,
I want to use tabulated interaction functions for bonds and angles. According
to the manual, f(x) and f'(x) should be computed as functions of x in spacing
distance of dx. For bonds, the spacing distance can be set as 0.002 (in single
precision) at default. But for angles, what shoud be set for the spacing
distance? Please give me some hints. Thanks a lot for your attention!
Sincerely,
Chaofu Wu, Dr.
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