Coarse-grained umbrella sampling for POPS-protein system

From: Rabeta Yeasmin (
Date: Fri Feb 23 2018 - 17:53:53 CST

Dear NAMD users,

I am running coarse-grain umbrella sampling simulation for a POPS-protein
dimer system. I have used residue based coarse-graining method to convert
all-atom system to coarse-grained system. As NAMD tutorial did not provide
mapping and topology files for POPS lipid; according to suggestions from
this group, I had modified those two files of POPE at the head position for
POPS. But I am getting undesirable potential mean force result after
running around 50ns. I am not sure
There was I would be grateful if anyone can suggest me about this.


Rabeta Yeasmin

This archive was generated by hypermail 2.1.6 : Mon Dec 31 2018 - 23:20:52 CST