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

[Chih-Ying Lin]

Hi
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
Lin