Shrinking a polymer to match its density using pbc

From: Sonu Kumar (
Date: Wed Sep 28 2016 - 10:21:11 CDT

Hello everyone.
I have a long chain simple polymer whose density from experiments is 1
g/cc. I have the molecule and I have to reduce its size so that it can be
in a box that matches its density. So what I have done is that I took the
molecule and started applying pressure to reduce its size and
simultaneously started reducing the pbc size every simulation.
I have successfully managed to reduce its size but now the box is not
shrinking at all even after applying high pressures. What should I do now.
I had taken one molecule in my periodic boundary conditions.


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