[gmx-users] The system setup

[Chih-Ying Lin]

Hi
I am going to simulate the lysozyme with some ligand in the low ionic
strength phosphate buffer .

The buffer condition will be
(pH 7.2, 8.3 mM)  and (pH 5.0 ,  8.3 mM)


For the buffer condition (pH 7.2, 8.3 mM), I will use TIP3P water
model and use CL- ions to nutralize the lysozyme (+8)
and cationic ligands.

Does my setting make sense?
Do you have any suggestion about this ?

Thank you
Lin