[gmx-users] Solvating in a solvent other than water
pallavisept at students.iiserpune.ac.in
Sat Sep 19 16:07:46 CEST 2015
I have a system of three polymer chains (30 monomers), all of which I
insert into a polymer matrix (5 monomers). I have an equilibrated box of
the matrix that would act as the solvent in my case. Since this non-aqueous
solvent box is too small, I expand it using genconf. But, on energy
minimizing this box, it forms blocks within the box, which precludes me
from equilibrating it. How do you circumvent this?
Thanks in advance.
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