[AMBER] Large protein hydrogen bonding analysis

From: Dmitry Osolodkin <divanych.rambler.ru>
Date: Wed, 18 May 2011 00:14:13 +0400

Dear AMBER users and developers,

I'm trying to perform an analysis of hydrogen bonding in a series of
dimeric proteins each consisting of 790 residues. Unfortunately,
analysis of all hydrogen bonds consumes too much memory, and it seems
that the only way to solve this problem is by dividing the system into
smaller parts. Is there a working and rigorous strategy of such
division? Maybe some tricks? I just want to be sure that all possible
H-bonds were taken into account, because amino acid composition
differences between proteins are rather subtle and may change hydrogen
bonding pattern anywhere.

Best regards,
Dmitry
--
Dmitry Osolodkin.
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Received on Tue May 17 2011 - 13:30:02 PDT
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