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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