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Dear GMXers,<BR>
by looking through the manual, I find that the tabluated interaction functions seem very flexible for performing MD simulations. But some questions puzzle me too much:<BR>
for bonded interactions, as for bonds, angles, dihedrals, the f'(x) are the derivations of f(x) respective to x, here x can be considered as values of bonds, angles, and dihedrals?<BR>
for non-bonded interactions, as for coulomb and LJ, the f'(x) are the derivations of f(x) respective to x, here x can be considered as values of distance between non-bonded atoms?<BR>
Thanks a lot for any reply to this post<BR>
Sincerely,<BR>
Chaofu Wu, Dr.<BR><br /><hr />聊天+搜索+邮箱 想要轻松出游,手机MSN帮你搞定! <a href='http://mobile.msn.com.cn/' target='_new'>立刻下载！</a></body>
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