[gmx-users] Thermostats in a NEMD
manik.mayur at gmail.com
Tue Sep 1 18:21:41 CEST 2009
Is there a way in GROMACS to apply a thermostat to the thermal component of
the kinetic energy of a particle rather than the whole KE (Thermal
Can we use profile based thermostats in GROMACS? Or if I have to modify the
code, can somebody help me with some pointers to start with?
Dept. of Mechanical Engg.
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