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Re: [lammps-users] how to use fene potential for bonds?
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Re: [lammps-users] how to use fene potential for bonds?


From: Nicola Molinari <nicola.molinari12@...68...>
Date: Wed, 23 Aug 2017 15:04:05 +0100

Hello Mousavi,

There are two stages to that problem:
1) Getting the warning, which tells you something is going unusually weird. You should know that a FENE bond has an asymptotic right limit (normally R0). When you get too close to the limit (where "too" can be quantified by looking at the LAMMPS source code) LAMMPS flags the warning.
2) The bond becomes longer than the R0 -> the simulation breaks.

You have to ask yourself why the bonds are stretching in such a weird manner since that is not supposed to happen. Most likely that is the result of a bad structure.

Best,
Nicola

2017-08-23 14:00 GMT+01:00 seyyed mohammad javad mousavi <smj.mousavi91@...24...>:

Dear lammps users

I want to use fene potetial bond for simulation of polymer with lammps.

but during simulation, system is warninig: fene bond too long and finally breaks run.

how to use fene potential for bonds?

thanks

mousavi


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