VMD-L Mailing List

From: Ashar Malik (asharjm_at_gmail.com)
Date: Tue Nov 15 2016 - 09:07:20 CST

Hi

You have asked for 2 different things.
1) Finding out number of solvent molecules:
-------Assuming this solvent is water you can do this:

On Wed, Nov 16, 2016 at 3:20 AM, Raviteja Kurapati <tsii.ravi_at_gmail.com>
wrote:

> 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.
> 

-- 
Best,
/A