[gmx-users] interaction with metal

[Nur Syafiqah Abdul Ghani]

Hi guys,

I have a question..Regarding to my project,i want to make a simulation
between metal and my protein in mix solvent condition.

BUt for gromacs,at the genion part can i run it for two times?
First to make my simulation system is neutral and the second one is to
use the genion to put the metal and interact it with my protein.Is it
possible to do that?

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Best Regards,

Nur Syafiqah Abdul Ghani,
Theoretical and Computational Chemistry Laboratory,
Department of Chemistry,
Faculty of Science,
Universiti Putra Malaysia,
43400 Serdang,
Selangor.
alternative email : syafiqahabdulghani at gmail.com