[gmx-users] Dihedral potential - regd

sukumar rapolu rapolusukumar at gmail.com
Sun Jul 8 07:08:24 CEST 2012

Hello all,

             I am modifying parameters in gromacs by downloading
charmm27.ff to my working directory, I have dihedral potential in my
forcefield as   v(T) = sumn over  n = 0 to 6  an* (-1)**n  cos **n (T)
 , with  values from a0 to a6 ,
I haven't observed any  dihedral potential related to this in gromacs,
 how can I handle this kind of potentials in gromacs ?
Please suggest me a way .

Thank you in advance.

Sukumar Srinadha.

More information about the gromacs.org_gmx-users mailing list