RE: Graphene psf file

From: soroush ziaei (
Date: Thu Jan 17 2019 - 08:23:01 CST

Dear ashkan,
The easiest way to generate psf file is to type following command lines into tk console or terminal:

# code script
package require topotools
topo retypebonds
topo guessangles
topo guessdihedrals
mol reanalyze 0
animate write psf name.psf

good luck

Sent from Mail for Windows 10

From: Ashkan Shekaari
Sent: Wednesday, January 9, 2019 10:45 PM
To: namd-l
Subject: namd-l: Graphene psf file

Dear NAMD Family,

Is VMD capable of generating the psf file for graphene just as it simply generates the related pdb file?

Ashkan Shekaari,
Ph.D Candidate in Solid State Physics,
K. N. Toosi University of Technology,
Tehran, Iran
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