[gmx-users] How to setup simulated tempering run?

treinz treinz at 163.com
Wed Aug 17 01:31:23 CEST 2016


Is simulated tempering working in GROMACS 5? If so, what's the right way of setting it up, e.g., what combination of thermostat and integrator should be use? I tried using md-vv with Nose-Hoover and grompp gave me a warning about incompatibility. I couldn't find any reference in the manual or the user-list. Can someone comment on this?


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