[gmx-users] spacing distance in tabulated angle interaction function

[wuxiao]

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.

_________________________________________________________________
Messenger安全保护中心，免费修复系统漏洞，保护Messenger安全！
http://im.live.cn/safe/
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20090920/f10e333a/attachment.html>