- Message from Dr Tushar Ranjan Moharana
-
Date: Thu, 27 Dec 2018 17:01:10 +0530
From: Dr Tushar Ranjan Moharana
Reply-To: gmx-us...@gromacs.org
Subject: [gmx-users] electrostatic and LJ energy
To: gromacs.org_gmx-users@maillist.sys.kth.se
You can use gmx energy
You can use gmx energy (g_energy). Follow the online manual at
http://manual.gromacs.org/documentation/2018/onlinehelp/gmx-energy.html
Regards
--
Tushar Ranjan Moharana
B. Tech, NIT Warangal
Ph D Student, CCMB
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Hi all
I want to calculate the electrostatic and LJ energy between a part of DNA
and ligand system in GROMACS-2016.3. How to do this? Example: Phosphate -
ligand electrostatic and LJ energy
thanks
Sunipa
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