TIP4P water box

From: 김민재 (kjh950429_at_gmail.com)
Date: Tue Feb 19 2019 - 12:59:01 CST

Hi everyone.

I am currently trying to run a MD simulation with TIP4P water. I am
relatively new to this. So, I followed the namd tutorial to solvate
carbonic anhydrase in a water box (5 angstroms longer than the atoms with
the highest coordinates in the x,y, and z axes.) However, in the resulting
pdb file, I noticed that the water was TIP3. Would it still be okay to run
the simulation with the configuration set to "waterModel tip4"? If not, how
can I create a waterbox with TIP4 water?


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