From: Hasan haska (hasanhaska_at_yahoo.com)
Date: Thu Feb 26 2015 - 16:49:55 CST
I have some questions to ask about configuration file in namd. Is it right to set "timestep 2 fs" with "rigidBonds none" in a configuration file when running simulations ? Does it negatively affect the correctness of the simulation ? And If I choose "rigidBonds none" in NVT, can I write "langevinHydrogen off” in the configuration file ?
Thanks for the reply.
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