Coarse-grained umbrella sampling for POPS-protein system

From: Rabeta Yeasmin (rabetayeasmin_at_gmail.com)
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.

Thanks.

Rabeta Yeasmin

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