[gmx-users] T-coupling of water and ion

[Jian Zou]

Hi all,

I saw in many mdp for charged protein or nucleic acid, people do T-coupling
seperately with water and ion, ie. Protein SOL ION.

How about put them in one group for T-coupling, ie. Protein SOL_ION, is this
reasonable? What's the difference between these two tc_grps selections?

Thanks for your comments.


Regards,

Jian Zou