[gmx-users] Charges in vacuum simulation

Richa Singh richa.s.rathorerr at gmail.com
Mon Oct 28 10:29:30 CET 2013

Hi all,

I'm trying to run a vacuum simulation of my protein which has a non-zero charge.
How to deal with this charge? Can I add counter ions in to my system?
Would it be energetically stable?

How can one bring a protein to its isoelectric point?

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