Stanislav Bobritsky wrote: > *Ran Friedman wrote:* > >Dear Stanislav, > > > >AFAIK there's no "targeted MD" in GMX. You can run EDS or use the > >flooding algorithm. > > > >Ran. > > Well, but (as I know from Manual, Ch. 6, p. 120) there is "approach to do > targeted MD" in GMX. > Together with an explanation why one should not use it for proteins :-)
But I guess you know what you need. When I read "targeted MD" I think about applying an external force in order to reduce the RMSD between two structures, so that the dynamics are somewhat perturbed, as it's done in CHARMM. Ran.
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