AMBER: About tleap

From: Varsha Goyal <>
Date: Thu, 12 Jan 2006 13:28:04 -0500 (EST)

when i run tleap for a protein where i changed three
of HID redues and added one Zn ion, i am getting my
perturbed and unperturbed charge to be -2 and -4
respectively. I dont know which charge should i
consider for neutralizing my protein. I have read few
threads from mail archive but i don't want to do any
change in xleap system files itself.
Any comments or suggestion??


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Received on Fri Jan 13 2006 - 06:10:06 PST
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