From: Raman Preet Singh (
Date: Tue Sep 15 2020 - 08:15:13 CDT


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From: <> on behalf of Basanta Acharya <>
Sent: Tuesday, September 15, 2020 5:29:12 PM
To: <>
Subject: vmd-l: Regarding arsorite files

Namaste everyone,
I am going to pass arsorite - water solution through a carbon nanotube to see the adsorption nature of CNT. I have downloaded sdf file of arsorite and converted it to .mol2 format using openbabel then i got problem in generating psf file as i donot have topology files. how can i obtain its topology files ? How can i generate psf file? and how can i get parameters file for this work?

Looking for good solution. Thank you!

Basanta Acharya