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Input File Reference
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The MOVIE File
Contents
Index
Reference Manual
Subsections
Input File Reference
Basic rules
Input Sections
List of Keywords by Sections
&INFO ... &END
&CPMD ... &END
&SYSTEM ... &END
&PIMD ... &END
&PATH ... &END
&ATOMS ... &END
&DFT ... &END
&PROP ... &END
&RESP ... &END
&LINRES ... &END
&TDDFT ... &END
&HARDNESS ... &END
&CLASSIC ... &END
&BASIS ... &END
&VDW ... &END
&QMMM ... &END
Alphabetic List of Keywords
Further details of the input
Pseudopotentials
Constraints and Restraints
Atomic Basis Set
Van der Waals potential
List of keywords for Gromos/AmberFF QM/MM
List of keywords in the &QMMM section
Keywords in the Gromos Input and Topology https
Output File Reference
Costas Bekas 2008-09-04
