Bad FENE bond error and fix nvt, fix nve problem in LAMPPS?

Mohammadreza Niknam Hamidabad @Mohammadreza_Niknam_Hamidabad

07 July 2016 1 7K Report

Hello everyone,

I have a polymer with bond_style FENE every time that I comment the fix lines( except fix langevan) it works but as you know does not update the positions and if I uncomment the fix nve or nvt lines the Bad FENE Bond error appears.

I attached the input script and setup files.

Does anybody have any suggestion?

Thanks

Mohammadreza Niknam Hamidabad

I found the answer!

First of all the fix nvt and langevin normally shouldn't use in the same input script .(langevin and nve fixes are ok!)

The equilibrium length of FENE bond is about 0.97 and in my experience, the time step is femtosecond (Didn't work for picosecond)

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