[gmx-users] path sampling methods in gromacs

ANTHONY C MANSON acm20 at psu.edu
Thu Sep 3 14:39:53 CEST 2015


Hello:
Are there any path sampling methods in Gromacs?  I mean similar to
NudgedElastic Band (NEB), where one has two endpoints and wishes to infer the
intermediate'transition' states.
CheersAnthony Manson Ph.D.


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