DL POLY: Difference between revisions

DL POLY (view source)

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-DL_POLY is a general purpose classical molecular dynamics (MD) simulation software.  It provides scalable performance from a single processor workstation to a high performance parallel computer.  DL_POLY_4 offers fully parallel I/O as well as a netCDF alternative to the default ASCII trajectory file.
+DL_POLY is a general purpose classical molecular dynamics (MD) simulation software.  It provides scalable performance from a single processor workstation to a high performance parallel computer.  DL_POLY_4 offers fully parallel I/O as well as a NetCDF alternative to the default ASCII trajectory file.
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-* [ftp://ftp.dl.ac.uk/ccp5/DL_POLY/DL_POLY_4.0/TUTORIAL/ DL_POLY Tutorial and Exercises]
+* [ftp://ftp.dl.ac.uk/ccp5/DL_POLY/DL_POLY_4.0/TUTORIAL/ DL_POLY tutorial and exercises]
 * [ftp://ftp.dl.ac.uk/ccp5/DL_POLY/DL_POLY_4.0/DATA/ DL_POLY4 examples]
-* [https://www.scd.stfc.ac.uk/Pages/DL_POLY-FAQs.aspx DL_POLY Frequently Asked Questions]
+* [https://www.scd.stfc.ac.uk/Pages/DL_POLY-FAQs.aspx DL_POLY FAQ]
 * [https://www.scd.stfc.ac.uk/Pages/DL_Software-Code-of-Conduct.aspx DL_Software User Community]
 * [https://www.scd.stfc.ac.uk/Pages/DL_POLY-Useful-Resources.aspx Useful Resources for DL_POLY Users]
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-* '''CONFIG''': simulation box (atomic coordinates).
+* '''CONFIG''': simulation box (atomic coordinates),
-* '''FIELD''': force field parameters.
+* '''FIELD''': force field parameters,
 * '''CONTROL''': simulation parameters (time step, number of MD steps, simulation ensemble, ...etc).