[gmx-users] trivial question about water molecules

[Smith, Micholas D.]

Check the original topology file without ions for the line SOL    (number of water's here)

then check the new topology file with ions-added  for the same line and compare. 


===================
Micholas Dean Smith, PhD.
Post-doctoral Research Associate
University of Tennessee/Oak Ridge National Laboratory
Center for Molecular Biophysics

________________________________________
From: gromacs.org_gmx-users-bounces at maillist.sys.kth.se <gromacs.org_gmx-users-bounces at maillist.sys.kth.se> on behalf of Marta Wisniewska <marta.d.wisniewska at gmail.com>
Sent: Thursday, January 21, 2016 11:47 AM
To: gromacs.org_gmx-users at maillist.sys.kth.se
Subject: [gmx-users] trivial question about water molecules

Hello Gromacs Users;

I'd like to calculate the # of replaced water molecules by sodium chloride
in my system . I added a 0.15M concentration of NaCl. How can I calculate
the number of water molecules, which are replaced by ions?

Thank you in advance,
Marta
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