VMD-L Mailing List

From: Dawid das (addiw7_at_googlemail.com)
Date: Thu Nov 24 2016 - 10:30:50 CST

Dear VMD Experts,

I have a structure in XYZ file format and I would like to solavate it with
Solvate plugin.
However, when I choose minimum and maximum dimensions of the box, I get my
box of
water molecules but water molecules that are too close to my structure are
not deleted. Is
there a simple way to do proper solvation of structure in a XYZ file?

Best regards,
Dawid Grabarek