AMBER Archive (2004)

Subject: AMBER: Hydrogen Bond-statistics

From: John (john.dalmaris_at_imperial.ac.uk)
Date: Mon Mar 15 2004 - 10:56:53 CST

Hello All,

The output file of Carnal when calculating hydrogen bonds gives the %
occupied by the stated hydrogen bond within the specific distance and angle
ranges. I was wondering whether anyone could give me any hint as to what is
this % occupied threshold above which the presence of the hydrogen bond is
significant.

Many thanks,

John

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