[gmx-users] MD with RMSD restraint

Sam Moors sam.moors at chem.kuleuven.be
Fri May 15 10:34:40 CEST 2009


Hi gmx users/developers,

I would like to do a molecular dynamics simulation with a restraint on the 
backbone RMS deviation from a reference structure.
Does anybody know if this is possible?
If yes, could you explain how to do it?
If no, what would be the easiest way to implement this in gromacs?

Thanks,
Sam



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