[AMBER] Query regarding Amber QUICK program

From: SUBHASMITA MAHAPATRA MAHAPATRA via AMBER <amber.ambermd.org>
Date: Fri, 19 Jul 2024 23:05:07 +0530

Hi,

I am trying to simulate a complex having covalent bond between its ligand
and receptor protein (serine residue). So, I extracted the serine residue
with ligand and ran QUICK to calculate the charge. I would like to know if
there is a way of using the QUICK output file to generate .frcmod file
using antechamber. I am attaching the output file for reference.

Kindly help me in this regard.

Thank you 

-- 
*Yours Sincerely*
*Subhasmita Mahapatra*
*Ph.D. Scholar (PMRF)*
*Computational Biophysics Group*
*Department of Biosciences and Biomedical Engineering*
*Indian Institute of Technology, Indore*
*Madhya Pradesh, India (453552)*

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Received on Fri Jul 19 2024 - 11:00:01 PDT
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