[gmx-users] spacing distance in tabulated angle interaction function
xiaowu759 at hotmail.com
Sun Sep 20 03:24:15 CEST 2009
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!
Chaofu Wu, Dr.
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