PME on a negatively charged system.

From: Richard Swenson (
Date: Thu Nov 29 2007 - 14:53:18 CST



I recently made a mistake in one of my bilayer simulations and left out the
counter ions. The result was a system with a net -21e charge. I was able
to run over 10ns of dynamics without any problems, but wonder how NAMD
handles PME on a charged system. Could someone point me to information on


Thanks in advance,




Ps. I do not plan to use these simulations due to the net charge.

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