[AMBER] assigning atom type and charge

From: Sanjib Paul <sanjib88paul.gmail.com>
Date: Mon, 6 Jul 2015 17:11:08 +0530

Dear Amber users,
                            I am working on carbon nanotube. It is about
100 angstrom long and contains 984 atoms. Now I want to assign atom type
'CA' and charge '0.0' to each and every carbon atom. As per my knowledge,
it can be done in xleap unit editor after uploading the molecule in xleap
and then selecting all atoms. But it will be very huge task as this
molecule contains around 1000 atoms. Therefore I want to know if there is
any other way to assign atom type and charges to all atoms so that I can do
this job little easily.

Thanking you.
Sanjib Paul
Department of Chemistry
Indian Institute of Technology, Kharagpur
India 721302
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Received on Mon Jul 06 2015 - 05:00:02 PDT
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