Dear all,
I am trying to simulate a positive charged dimeric protein. I solvated the
system using TIP3P box and added Cl- to neutralize the system. During
minimization, i got high positive value of EAMBER as well as other energy
contributions which causes errors during dynamics. However, when i am not
adding Cl- ions in system (system remains positive charge), energy of system
is negative and dynamics runs properly. Is simulation of charged system (
without adding Cl ions) valid?
Thanks in advance
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Kshatresh Dutta Dubey
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Received on Sat May 07 2011 - 03:30:04 PDT
