[gmx-users] force field
hhhh huan
scottiehuan at yahoo.com
Tue Jul 1 04:31:33 CEST 2008
Dear all gmx users and developers,
I am running a simulation of esters. However,i failed to allocate the force field of 1 of the Carbons. (I am using OPLS-AA force field)
-C-C=C-C-C=C-C-
*
The Carbon atom labeled with symbol * cannot be identified. I checked the ffoplsaa.atp file but I cant find the suitable one.
I wish that someone can help me to solve the problems.
Any suggestions and helps are appreciated.
Thanks
More information about the gromacs.org_gmx-users
mailing list