AMBER Archive (2007)Subject: AMBER: Add hydrogen and charge calculation
From: snoze pa (snoze.pa_at_gmail.com)
Date: Mon Aug 27 2007 - 14:06:44 CDT
Dear Users,
I am trying to add hydrogen in PDB file inside amber and then calculating
the charges.
But in next step i want to remove non-polar hydrogens by adding their charge
onto the
carbon atom. Is it possible to do such calculation inside amber? thank you
in advance
for your timely help.
s
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