[gmx-users] using SPC water with Charmm FF

jhon espinosa cyberjhon at hotmail.com
Tue Dec 8 00:59:38 CET 2015

Hi allI finished running the 50 ns MD Simulation of a very large system (17 Million atoms).It is a capsid in water. I used charmm FF for the protein and spc for the water.I am studying temperature triggered structural transitions.Since Charmm FF is build based on TIP3p water model, are my simulation results wrong?Is there any main issue that I should know?ThanksJohn


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