VMD-L Mailing List

From: Raviteja Kurapati (tsii.ravi_at_gmail.com)
Date: Tue Nov 15 2016 - 08:20:00 CST

how to know exact number of solvent molecule in simulation box?
I have added solvent to protein using vmd solvate package. No matter what
the box size is, solvated pdb file shows around 9000 solvent molecules (
which is default number of molecules in wat.pdb file used in solvate
package).
how to place exact number of solvent molecules within desired box size?

Best Regards.