[gmx-users] Dihedral potential - regd

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

[gmx-users] Melting simulations - regd

Hello gmx users, I am doing melting simulations of a polymer in gromacs, for this am giving output from a production run of particular temperature as the input for equilibration at next temperature and generating velocities in equilibration at each temperature by using gen_vel = yes. Here m