[gmx-users] Strong egative energy drift (losing energy) in explicit water AMBER protein simulation [SOLVED]

[ms]

Ok, I am using v-rescale now and the major artefacts seem to be gone, at 
least on the very short term (2-3 ns).

It seems grompp should warn that andersen is not a good choice if you're 
using CPUs :)

Thanks!
M.

-- 
Massimo Sandal, Ph.D.
http://devicerandom.org