[lammps-users] amber -> lammps question

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1

Hi everyone:

I am trying to use amber force-field to simulate a peptide
using lammps and having some difficulties with the electrostatics.
Am I missing something simple? Please find the amber and corresponding
lammps runs attached.

Thank you in advance,

Volodymyr

peptide.tar.bz2 (15.3 KB)

2

You need to ask a more specific question. No one
is likely to dig through your input files.

Steve