[gmx-users] Using different sets of parameters with the same functional form for a single dihedral
sanjeet kumar singh ch16d012
ch16d012 at smail.iitm.ac.in
Tue Sep 25 23:42:53 CEST 2018
I want to define dihedral potential for a particular
dihedral in GROMACS. My problem is that i have eight sets of parameters
with *different multiplicity (n)* and f*orce constant value (k)* for the
same dihedral of *functional form 1*.
I am thinking that may be i can define
all these parameters one by one with different dihedral type code in
and .rtp* file and use *functional form 1 *for all of them. But i don't
know whether this is the correct way to do this or i have to use *functional
form 9*. Please help me guys.
More information about the gromacs.org_gmx-users