[gmx-users] Water model used.

Dawid das addiw7 at googlemail.com
Tue Aug 26 19:50:56 CEST 2014


Dear Gromacs experts,

Let's say that I use such an option in pdb2gmx:
-water tip3p

Then, while generating solvation box with genbox I use:
-cs spc216.gro

So my question is, what model do I actually use? SPC or TIP3P?

Regards,

Dawid Grabarek


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