RE: Graphene psf file

From: soroush ziaei (soroush.ziaei7337_at_gmail.com)
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?

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