Maximum Timestep for NAMD

From: Alex Saad-Falcon (alexsaadfalcon_at_gmail.com)
Date: Thu Feb 07 2019 - 14:24:30 CST

Hi all,

What is the maximum acceptable timestep for NAMD? I would like to run
longer (1ns to 1ms) simulations, and I am wondering how much I can increase
the timestep (to 10fs or 100fs) without detracting terribly from accuracy.
What do I need to consider?

Thanks,

Alex

This archive was generated by hypermail 2.1.6 : Thu Dec 31 2020 - 23:17:10 CST