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PARSET does not undertake any error checking of the CONTROL,
FIELD and CONFIG files. Any errors in these files will result in an
incorrect parameters file. It must also be recognised that for some of
the parameters, there is no straightforward formula for calculating
suitable values from the input files. In these cases the parameters
produced represent a reasonable estimate only. Fortunately, these
cases are few in number and as a rule PARSET will significantly
reduce the time needed to prepare a working version of DL_POLY_2 .
It is useful to prepare the input files assuming the largest
simulation you are likely to attempt on a given system. This will
generate the largest executable necessary to prevent you having
to recompile the code in the course of your study.
W Smith
2003-05-12