AMBER Archive (2008)

Subject: AMBER: antechamber run on charged system

From: san_amber roy (sanamber_at_gmail.com)
Date: Wed Jan 23 2008 - 12:09:34 CST

Dear amber users,
                                    I tried to run antechamber on the system
of total charge -1, using the command
$AMBERHOME/exe/antechamber -i p_d.pdb -fi pdb -o p_d.prepin -fo prepi -c bcc
-s 2 ,

but it was terminated showing the error message , total number of electron
is odd (133), total charge of the system 0?

So can you kindly suggest how to use antechamber is such case,i.e. to run
antechamber on charged system (with odd number of electrons)?

I am attaching the .pdb file along with this mail.

Sincerely yours,
Santanu


  • chemical/x-pdb attachment: p_d.pdb
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