[gmx-users] dihedral restraints in gromacs 4.0.5

Steven Ari Beasley sbeasle2 at uwo.ca
Fri Dec 4 20:15:08 CET 2009

has anyone successfully incorporated dihedral angle restraints in gromacs 4.0.5 protein simulation.   i can only find instructions for gromacs 3.3.1, nothing in the manual.  

i don't know if the format is the same or whether it requires diffent .mdp flags, but so far i have not been able to successfully run a simulation.  any help would be greatly appreciated.

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