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[ESPResSo-users] Units of Temp and time step

From: Muhammad Anwar
Subject: [ESPResSo-users] Units of Temp and time step
Date: Fri, 1 Apr 2011 11:15:24 +0200
User-agent: Thunderbird (X11/20101027)

Dear User,
I am using Kcal/mol for energy and Angstrom for distance, I want to set temperature of 300 K in Langevin thermostat and time step of 1 fs. Will i write simply:

setmd time_step 1
thermostat langevin 1.0 1.0

or need some conversion? If need conversion then in which units i will put temperature and time step?

Thanks in advance.

Best Regards,
Muhammad Anwar

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