[gmx-users] David, still polarization!

xieyh at hkusua.hku.hk xieyh at hkusua.hku.hk
Mon Mar 14 10:54:19 CET 2005

Dear David:

Thanks for your precious suggestion. However, I can not still get a smooth
simulation on the topics of non-polarized protein solvated in the polarized
shell water model, no matter how I adjust those input parameters.

As I think, it is almost impossible to simulate a non-polar protein in the
polarized water solvent via GMX. 

On the contrary, assuming I have a polarized protein molecule, is it possible to
simulate it in the original SPC solvent?

Thanks again.

Xie YH
Hong Kong Univ.

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