DL POLY: Difference between revisions

DL POLY (view source)

Revision as of 21:52, 8 July 2022

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-To get access to DL_POLY on Compute Canada clusters, register at http://www.scd.stfc.ac.uk/SCD/40526.aspx.  Forward the confirmation email to [[Technical_support | support]] as proof of your registration.  The confirmation email typically begins:
+To get access to DL_POLY on our clusters, register at http://www.scd.stfc.ac.uk/SCD/40526.aspx.  Forward the confirmation email to [[Technical_support | support]] as proof of your registration.  The confirmation email typically begins:
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 = Modules = <!--T:8-->
-To see which versions of DL_POLY are installed on Compute Canada systems, run <code>module spider dl_poly</code>. See [[Using modules]] for more about <code>module</code> subcommands.
+To see which versions of DL_POLY are installed on our systems, run <code>module spider dl_poly</code>. See [[Using modules]] for more about <code>module</code> subcommands.
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-The input files shown below (CONTROL and FIELD) were take from example TEST01 that can be downloaded from the page of [ftp://ftp.dl.ac.uk/ccp5/DL_POLY/DL_POLY_4.0/DATA/ DL_POLY examples].
+The input files shown below (CONTROL and FIELD) were taken from example TEST01 that can be downloaded from the page of [ftp://ftp.dl.ac.uk/ccp5/DL_POLY/DL_POLY_4.0/DATA/ DL_POLY examples].
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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).
+* '''CONTROL''': simulation parameters (time step, number of MD steps, simulation ensemble, ...etc.)
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