[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

Hello Group,
                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
the *bonded.itp
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.


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