[gmx-users] Help!

[ankur gupta]

Dear Gromacs Users,
I want to dissolve my protein 1qhk in water and then study the dynamics
and structural properties of water-protein interface but I dont know how
many water molecules should I take to dissolve the protein and also the
size of the box.So please guide me how will we decide the no of water
molecules and size of the box. Also I dont know the size of my protein so
please tell me how to know the size of my protein.

Sincerely
Ankur




"You are making progress if each mistake You make is a new one"
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                               ANKUR GUPTA
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