[gmx-users] The system setup

Chih-Ying Lin chihying2008 at gmail.com
Thu May 28 04:14:11 CEST 2009

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

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