Error in PMF Calculations

From: HEMANTH H 18310019 (
Date: Thu Apr 04 2019 - 00:21:54 CDT

Dear all,

I'm trying to calculate the PMF for the absorption of a molecule on a
graphene sheet. The calculation is run for 100 ns, but the sampling in the
region near the sheet is zero or very negligible even after running the
simulation for an extended time ( ~200 ns). I also tried setting the window
size to the region that was not being sampled, but that also didn't help.
Any help in this regard would be highly appreciated.

*Hemanth H 18310019*
Research Scholar
IIT Gandhinagar

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