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Re: [lammps-users] TIP4P-FQ
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Re: [lammps-users] TIP4P-FQ


From: Axel Kohlmeyer <akohlmey@...24...>
Date: Thu, 17 Aug 2017 11:18:41 -0400



On Thu, Aug 17, 2017 at 3:01 AM, 刚 <1716597201@...1306...4...> wrote:
Dear Sir:
I would like to know if lammps can build TIP4P-FQ water molecular model? which commands can help me build TIP4P-FQ water molecular model? I now understand only pair_style lj / cut / tip4p / long, fix qeq / dynamic.

​i don't understand what you are asking here or whether you are answering your own question and want approval for it.

what is required to model TIP4P-FQ should be explained in the ​publication(s) describing it. then you need to compare what is written with the LAMMPS manual and make certain, that the LAMMPS features you choose match. nobody will do that for you. 

axel.

 
Sincerely,
Gang Liu

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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.