Hi Vishal,
If you want to extract RESP charges using R.E.D server, tutorials are available at
http://upjv.q4md-forcefieldtools.org/Tutorial/. You could use R.E.D or the PyRED program which is interfaced with R.E.D to derive charges.
Best Regards,
Jissy A. K., PhD
Marie Curie Post-Doctoral Researcher
Drug Discovery and Development
IIT - Italian Institute of Technology
Via Morego 30, 16163 Genova - Italy
https://www.devivolab.org/
________________________________
From: Vishal Kumar <vishalav0920.gmail.com>
Sent: 01 July 2018 14:32:44
To: amber.ambermd.org
Subject: [AMBER] Extraction of atomic charges.
I am a MSc student , I am very new in AMBER , I want to extract atomic
charges of *Dimethylimidazolium chloride *by using RED TOOL.
It would be really helpful if anyone can help me on this.
Thank you
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Received on Mon Jul 02 2018 - 03:00:02 PDT
