[QE-developers] URGENT Help Required

Swapnasopan Datta sopan.dol at gmail.com
Sat Apr 25 11:54:58 CEST 2020


Dear Sir/Ma'am,
I would like to work on a project for which I propose to use Quantum
Espresso. The project is to test the binding efficacy of a proposed drug
candidate. I would like to run a simulation involving a sugar moiety and a
long chain fatty acid. One of the hydroxyl groups is supposed to form a
chemical bond with the carboxylic end of the lipid. I would like to find
how stable this product would be.
I would like to tell you that I have a Microsoft Windows Operating System
only and I shall have to run the QE software on it. I am an experimentalist
by training and am not familiar with most of the software jargon. Please
help me to 1. Download the Windows 10 version of QE, 2. Install it, and 3.
Run it successfully to solve the problem. I need your help urgently for
this project. Please provide clear, step-by-step instructions.
Thanking you in anticipation.
Yours truly
Swapnasopan
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