[gmx-users] multiple dihedrals
Amin Arabbagheri
amin_arab at yahoo.com
Wed Jun 30 13:12:41 CEST 2010
Hi all,
I'm using ffamber99p ff in gromacs and now I have to use
some additional parameters in the force field. Regarding to designation
of proper dihedrals in AMBER, in some cases there are 2 or 3 dihedrals
given for a specific torsion, in which parameters(e.g. angles) differ
from each other and there also has been defined periodicities of -1,-2
etc.
the question is how to implement such dihedrals in GROMACS,
thanks
very much for any instruction.
bests,
Amin
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20100630/56653db3/attachment.html>
More information about the gromacs.org_gmx-users
mailing list