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Suk Joon Na @ 4:18 pm on 04 Jan 2011

“ERROR: Illegal fix nvt/npt/nph command”

I built a PE chain by using Polymer Modeler. It seems working well, however, the follwing error occurs “ERROR: Illegal fix nvt/npt/nph command” when you run LAMMPS with the input scripts from Polymer Modeler. It seems Polymer Modeler does not consider the new patch for LAMMPS. The syntax in LAMMPS changed from 7Apr10.

tool:polymod

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Benjamin P Haley @ 7:45 pm on 12 Jan 2011

Hmm, that is strange. The version of LAMMPS which runs for the PolymerModeler tool is 21Jul10. Can you provide the input file for LAMMPS? Thanks for reporting this!

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