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Re: [lammps-users] table potential issues.
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Re: [lammps-users] table potential issues.


From: Axel Kohlmeyer <akohlmey@...24...>
Date: Mon, 21 Aug 2017 09:27:27 -0400



On Fri, Aug 18, 2017 at 10:43 PM, Anna Vernon <lappala.anna@...24...> wrote:
dear LAMMPS users,


please find attached two table files--  table fene original is just the tabulated version of the original FENE potential, and the table_FENE one is a shifted potential with a minimum at 1.12246

The problem is, although the files are almost identical (the minimum is just shifted, the original FENE file runs, and the other one does not, and I am more then puzzled about this... 
both are results of bond_write command.
The "broken" potential goes up to 4 steps and crashes as a result of a lost bond. I would appreciate any input!
many thanks,


​​actually, both files look bogus to me.​

​there is no suitable information here to track this down.

axel.

 

Anna




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