[gmx-users] H-REMD in umbrella sampling
adam.orlowski at ul.ie
Fri Nov 20 10:47:36 CET 2015
Is Hamiltonian REMD possible with umbrella sampling in pure gromacs 5.1 without plumed patch ? It should be according to gromacs 5 paper and manual but no details are provided of how to use it.
If yes, does anyone successfully applied it and could share sample mdp options used to exchange between umbrella windows ?
So far, whatever setup I use I get the message that systems are identical and there is nothing to exchange - seems that gromacs doesn’t recognise any differences in pulling options.
Thanks a lot for help!
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