AMBER: Are the constant pH simulations with explicit water possible?
Hi,
I'm going to perform constant pH simulations in AMBER8.
As far as I've understood this can only be done with implicit water
representation. Why couldn't I treat water explicitly?
Is that because unit cell must be neutralized? And why should it be
neutralized?
Best regards,
Kateryna mailto:kateryna_mirosh.ire.kharkov.ua
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Received on Tue Mar 29 2005 - 15:53:02 PST