[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


      
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