Re: AMBER: Zn in antechamber

From: Rhonda Torres <>
Date: Fri, 26 Sep 2003 10:24:16 -0700 (PDT)

Is it possible for you to use a pdb file as input for Antechamber?
Granted it was for Mg2+, but I used a pdb file for calculation in
Antechamber, and it worked great for charge calculation in a
chlorophyl (A and B) for PS I.

If your system is not neutral, you will have to take the
ANTECHAMBER_MUL.MOP file created by Antechamber and modify
it to change the charge. You can then just call up MOPAC
directly to have it run the calculation.

Hope this helps

The AMBER Mail Reflector
To post, send mail to
To unsubscribe, send "unsubscribe amber" to
Received on Fri Sep 26 2003 - 18:53:01 PDT
Custom Search