From: Abhishek TYAGI (atyagiaa_at_connect.ust.hk)
Date: Wed Nov 25 2015 - 07:03:45 CST
Dear Zou,
The fifth is really wonderful tool to build parameter files. The mailing list (VMD mailing list) have many similer questions you may try their too. For instance, the tutorial videos were provided on the webpage. (http://www.ks.uiuc.edu/Research/vmd/plugins/fftk/)
Try the tutorials to understand how fftk works. You need to understand the basics of parameter files contain the information of atom, bond, angle, dihedral, and impropers. The theory is needed to be understood by you, please go through the detailed material provided by vmd on the same webpage, the tutorial have shown in detail all the required steps to be needed.
To use fftk you need acess to gaussian for optimization of your files. The plugin works with gaussian files, namd and vmd itself.
Cheers
Abi
Abhishek Tyagi
PhD Student
Chemical and Biomolecular Engineering
Hong Kong University of Science and Technology
Clear Water Bay, Hong Kong
________________________________
From: ZOU Changling <zoucl_at_ihep.ac.cn>
Sent: Wednesday, November 25, 2015 8:39 PM
To: Abhishek TYAGI; Namd Mailing List
Subject: 来自"ZOU Changling" <zoucl_at_ihep.ac.cn>的邮件
Dear Abhi:
I have seen the fftk on the http://www.ks.uiuc.edu/Research/vmd/plugins/fftk/,
but I still can not use it ,could you please tell me the detailed usage about it,or some literature ?
Thanks!
Chang ling
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