From: Hasan haska (hasanhaska_at_yahoo.com)
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