ML FF: Difference between revisions

Revision as of 09:45, 6 April 2022

This file contains the force field information.

It is needed to run calculations using force fields only (ML_ISTART=2).

A knewly created force field with ML_ISTART=0 or ML_ISTART=1 is written to the ML_FFN file. This file has to be copied or moved to ML_FF for a force field only calculation.

Revision as of 09:45, 6 April 2022 (view source) Huebsch (talk \| contribs) No edit summary ← Older edit		Revision as of 09:45, 6 April 2022 (view source) Huebsch (talk \| contribs) No edit summary Newer edit →
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	{{DISPLAYTITLE:ML_FF}}		{{DISPLAYTITLE:ML_FF}}

	This file contains the force field information.		This file contains the force field information.