[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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