NAMD configuration file

From: Hasan haska (
Date: Wed Jul 03 2013 - 17:12:22 CDT

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.

This archive was generated by hypermail 2.1.6 : Wed Dec 31 2014 - 23:21:23 CST