Hamiltonian Replica exchange configuration file

From: neha rana (neha2009rana_at_gmail.com)
Date: Thu Aug 29 2019 - 15:57:50 CDT


I am trying to run a Hamiltonian replica exchange MD using NAMD. I was
successful in running umbrella sampling Replica exchange MD tutorial. But
unfortunately, I am not able to adapt the umbrella.namd for H-REMD. Could
you please share a configuration file that can successfully run an H-REMD

Best regards,

This archive was generated by hypermail 2.1.6 : Thu Dec 31 2020 - 23:17:11 CST