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[ESPResSo-users] Error regarding rotational diffusion

From: Nairhita Samanta
Subject: [ESPResSo-users] Error regarding rotational diffusion
Date: Mon, 13 Nov 2017 23:23:15 +0530

Hi all!

I am getting an error saying

"Switching rotation per particle (#define ROTATION_PER_PARTICLE) and pressure calculation are incompatible."

if I include gamma_rot in thermostat Langevin although the code is running. can anyone tell me what does it mean?

I also wanted to know if i want to set gamma and gamma_rot separately for invidual particle in a system, for thefollowing command
"part 1 pos 1.0 1.0 1.0 type 3  temp 1.0 gamma 9.42 gamma_rot 3.14"
Espresso is giving error saying "unknown particle parameter "gamma_rot"". Can anyone clarify this to me. And if I want to set gamma and gamma rot separately for individual particles, do i still need to give the command of  "thermostat langevin  <temp> <gamma> <gamma_rot> on on"? In that case can I also not integrate the rotation of few particles in the system?

Nairhita Samanta

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