SPRING K: Difference between revisions

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== Related tags and articles ==
== Related tags and articles ==
{{TAG|SPRING_R0}}
{{TAG|SPRING_R0}}
{{TAG|SPRING_V}}
{{TAG|SPRING_V0}}
{{FILE|ICONST}}
{{FILE|ICONST}}
{{TAG|Biased molecular dynamics}}
{{TAG|Biased molecular dynamics}}

Revision as of 08:30, 11 April 2023

SPRING_K = [real (array)] 

Description: The parameter SPRING_K defines force constants ( 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 units of are where units of coordinate the potential acts upon (e.g., for coordinates with flag R, for coordinates with flag A, dimensionless for coordinates with flag W, etc...) The number of items defined via SPRING_K must be equal to , otherwise the calculation terminates with an error message.


Related tags and articles

SPRING_R0 SPRING_V0 ICONST Biased molecular dynamics