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[lammps-users] Atom type/ Data file
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[lammps-users] Atom type/ Data file


From: Amir Hossein Saeedi <asaeedi@...7272...>
Date: Thu, 21 Dec 2017 09:11:16 +0000

Hi All

Despite convenient features of VMD (topotool plugin) for building a data file, its still highly tremendous to assign the type to atoms of a large molecule, such as lipids. 

My molecule is completely arbitrary, without any support by PDB website. 

Is there any visual molecule builder to specify atom type in accord with a given Force Field? 
I've tried Avogadro, but it lacks such option.


With Kind Regards

Saeedi Dehaghani Amir Hossein
Assistant Professor 
Department of Petroleum Engineering
Faculty of Chemical Engineering
Tarbiat Modares University
Address: Tarbiat Modares University, Jalal Ale Ahmad Highway, Gisha Bridge, Tehran, Iran
Mob: +98-9122892230
Tel: +98 21 82883350
Fax: +98 21 82883350