AMBER Archive (2008)

Subject: AMBER: PB Radii

From: Swarup Gupta (swarupgupta_at_yahoo.com)
Date: Thu Nov 13 2008 - 01:06:34 CST

I want to know if I use IGB=2 while keeping the default radii set then whether the results would be wrong!! The manual says that "With this option, you should use the LEaP command "set default PBradii mbondi2"......but my confusion is that I am not working with PB; then what is the use of setting a PBradii here while running GB?
 
regards,
SGupta
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