NAMD configuration file

From: Hasan haska (hasanhaska_at_yahoo.com)
Date: Wed Jul 03 2013 - 17:12:22 CDT

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Dear NAMD Users, I want to ask some questions about NAMD configuration file.  1- Is it right to use "timestep 2 fs" with "rigidBonds none" in a configuration file when running simulations ?   2 -  If I choose "rigidBonds none" in NVT, do I have to write "langevinHydrogen    on" in the configuration file ?  3 - Does it negatively affect the simulation results when I write "langevinHydrogen    off" with "rigidBonds none" ?  Thanks for the answers.

• Next message: Vibhor Agrawal: "Problem with the cross term of C NH1 CT1 C NH1 CT1 C NH1"
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