jcsung/verticalerror
Computes the vertical square error of two isotherms
Grand Canonical Movie Creator for DL_POLY
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Computes the vertical square error of two isotherms
Quick and dirty program for converting a simple PDB file to DL_POLY CONFIG file with no PBCs
Quick and dirty PHP script that consolidates and counts all of the unique interactions in a DL_POLY FIELD file. Only counts BOND, ANGLE, DIHEDRAL, and INVERSION interactions.
Simplistic queue summary script for PBS/Torque batching system