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...NanoEngineer-1 is a molecular CAD software written by Nanorex and provides the user an easy way to create molecules, while the software modifications allow the user to type atoms using multiple force fields. PACKMOL can generate a random collection of molecules using the molecule templates from NanoEngineer-1 thus providing the initial MD cell. Modifications to PACKMOL allow the atom type data to be passed through to the MSI2LMP software. MSI2LMP creates a LAMMPS input file based on class I or class II force fields. ...
The developed graphical interface is based on the SKILL language which is a Lisp dialect used as a scripting language and PCell (Parameterized Cells) description language used in many EDA software suites by Cadence Design Systems.