[gmx-users] md-vv integrator on gromacs 4.5.5
yaoli at andrew.cmu.edu
Fri May 13 23:49:30 CEST 2016
Hi gromacs users,
I tried to run md-vv along with nose-hoover thermostat on gromaces 4.5.5 but it resulted in a temperature 300 K higher than the reference temperature. However, I run the same simulation on gromacs 4.6.5 and it worked well. Has anyone encountered the same problem? Can I still incorporate nose-hoover with md-vv integrator on 4.5.5?
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