[gmx-users] how can i choose combination rules in Lennard-Jones interaction
主月 :)
jiqing at iccas.ac.cn
Thu Dec 22 10:54:52 CET 2005
Hi everyone:
The Lennard-Jones interaction in GMX has two parameters.C(12)ij and C(6)ij or Eij and rij .I want to set different value for them but the value should set to C(12)ij and C(6)ij or Eij and rij .
And the two types of combination rules can be used within GROMACS, how can i choose them ?
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20051222/90a619bb/attachment.html>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: clip_image002.jpg
Type: image/jpeg
Size: 3663 bytes
Desc: not available
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20051222/90a619bb/attachment.jpg>
More information about the gromacs.org_gmx-users
mailing list