AMBER Archive (2007)

Subject: AMBER: Problem with Antechamber and point charges

From: anna duraj (annaduraj_at_gmail.com)
Date: Wed Aug 01 2007 - 14:40:44 CDT

Hi all!

I am new user of AMBER and I have problem with getting atomic point
charges for protein.
My protein has approximately 300 residues. I want to create an input file
for GRASP which has the charge info in it.
I thought that Antechamber is the best for this, but when I use it , it
gives me several errors.
Can I use Antechamber for getting point charges in protein ? Or is it only
for small molecules as eg.ligands??
I am wondering If I can create such an input file using AMBER 9?

Thanks in advance

Anna

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