[gmx-users] how many water molecule used to run MD?

Chih-Ying Lin chihying2008 at gmail.com
Mon Sep 22 07:23:38 CEST 2008

how many water molecules used to run MD?

what is the criteria for this?

I found some water.gro including 216 or 512 water molecules.

Is it enough to include 216 or 512 water molecules only in MD system?

For TIP4P; there are 4 coordinates to determine a water molecule.
For TIP5P; there are 5 coordinates to determine a water molecule.

If I want to include more than 1000 TIP4P or TIP5P water molecules in
my MD system, how could I construct the TIP4P.gro and TIP5P.gro files

Thank you

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