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Control file
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Explanation of input and
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Explanation of input and
Input files
Subsections
Control file
General section
Atomic types section
Molecule types section
Simulation cell section
Configuration Initialization Section
Datafile Section
Forcefield Section
MD Information Section
NEMD/Onsager Info
GCMC Section
Extra sections in control file
Minimum energy paths with Baker algorithm (old stuff)
The restart file
The CUSTOM Restart File
Atom File
Molecule File
Molecule -Molecule interactions File
Atom -Atom interactions File
Pmap File
Emap File
Smap File
Last edited by Shaji Chempath on: 2008-06-26
