[gmx-users] Thermostats in a NEMD

[Manik Mayur]

Hi,

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
KE+Streaming KE)?
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?

Thanks,

Manik Mayur
Graduate student
Microfluidics Lab
Dept. of Mechanical Engg.
IIT Kharagpur
INDIA
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