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From: saravana (saravana_at_physik.uni-kl.de)
Date: Sun Mar 11 2007 - 18:52:30 CDT
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Namd users
I have a protein with most probable gasphase charge state +7 was
found through spectrometry results, i need the charge configuration with
lowest energy state particularly for my protein which residue sequence or
titrable group would contribute the protonation state of +7.
Is there any option to calculate the lowest energy state of protein (+7) from
different conformations states.
thank you
regards
s.prakash
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- Next message: wahn_at_uiuc.edu: "Water density in a periodic box"
- Previous message: saravana: "hydrophobic part of the solvent accessible surface area -request"
- In reply to: GUO HAO: "a basic question on NAMD"
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