[gmx-users] #define gi_2 ; tetrahedral centres
Chih-Ying Lin
chihying2008 at gmail.com
Sun Sep 28 06:39:43 CEST 2008
Hi
I found this improper dihedral angle type
#define gi_2 35.26439 334.84617
; tetrahedral centres 80
for -N-(CH3)3- group
and in my .top file
[dihedrals]
; ai aj ak al funct
N CH3 CH3 CH3 2 gi_2
Is this right?
Thank you
Lin
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20080927/011017b9/attachment.html>
More information about the gromacs.org_gmx-users
mailing list