SPRING R0: Difference between revisions
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== Related tags and articles == | == Related tags and articles == | ||
{{TAG| | {{TAG|SPRING_K}} | ||
{{TAG|SPRING_V}} | {{TAG|SPRING_V}} | ||
{{FILE|ICONST}} | |||
{{TAG|Biased molecular dynamics}} | {{TAG|Biased molecular dynamics}} | ||
Revision as of 08:08, 11 April 2023
SPRING_R0 = [real (array)]
Description: The parameter SPRING_R0 defines position of minimum () for the harmonic bias of the following form: where the sum runs over all () coordinates the potential acts upon (), which are defined in the ICONST-file by setting the status to 8. The number of items defined via SPRING_R0 must be equal to , otherwise the calculation terminates with an error message.