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Re: [lammps-users] Drag value fix npt
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Re: [lammps-users] Drag value fix npt

From: Axel Kohlmeyer <akohlmey@...24...>
Date: Wed, 11 Oct 2017 09:34:12 -0400

On Wed, Oct 11, 2017 at 8:55 AM, Sengupta, S. <S.Sengupta@...12...2493...> wrote:

Dear users,


I want to have NPT in the xx and yy dimensions using a script like shown below.


fix npt1 all npt temp 300 300 50 x 1 1 100 y 1 1 100 couple xy drag 2.0


Does the drag value apply to both x and y dimensions or does it need to be specified separately for both dimensions ?

​drag applies to the internal thermostat degrees of freedoms and thus is global.






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Dr. Axel Kohlmeyer  akohlmey@...12...24...
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.