[gmx-users] About the charge

Anil Mhashal anil2000.2008 at gmail.com
Wed Oct 6 13:57:27 CEST 2010

Dear friends,

please tell me, what are the possible reasons for the system total charge in
not zero and the need to neutralise it in MD simulation of the proteins.

Anil R.Mhashal
Research fellow
Physical Chemistry Division
National Chemical Laboratory
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