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Re: [lammps-users] Special_bonds command-amber or dreiding keywords
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Re: [lammps-users] Special_bonds command-amber or dreiding keywords


From: Axel Kohlmeyer <akohlmey@...24...>
Date: Mon, 11 Dec 2017 08:17:03 -0500



On Sat, Dec 9, 2017 at 11:07 AM, saly jackson <salyjackson@...12...24...> wrote:
Dear all

To modify my input files to apply special bonds, I use special_bonds command in my input file. Is there any other modification in my input file? 

​special bonds processing is *always* active for any system with explicit bonds. all you can do is change the weight factors.​

 

How about my data file? Should I use that one to simulate without any considering to special bonds? 

​this question makes no sense at all. 

axel.​

 

It would be grateful if I have your advice.

Thanks for your time and attention,
Saly



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--
Dr. Axel Kohlmeyer  akohlmey@...12...24...  http://goo.gl/1wk0
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.