Hello,
we want to go simulation studies, using AMBER 9.0
of a protein having two copper ions in +2 state and
each of copper is coordinated with three histidine
residues. I am trying to simulate using the advanced
tutorial of non-standard residues which is present on
the amber website. The problem is that the either
distance between the copper increase or decreases
during minimization, either due to increased repulsion
or attraction with the histidine residues. Therefore i
want to calculate RESP charge of this coordinated
system.
Regards
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Received on Wed Feb 06 2008 - 06:07:17 PST
