Files::FFPARAMS: Difference between revisions
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|- style="vertical-align: top; background-color: #f6f6f6;" | |- style="vertical-align: top; background-color: #f6f6f6;" | ||
| nb_params | | nb_params | ||
| | | 'normal' | ||
| [[Control key types|string]] | | [[Control key types|string]] | ||
| determine how vdw parameters are handled for assembly of NB type pairs. Supported modes are:<br/>''normal'' - standard mode (all reasonable interactions)<br/>''like-only'' - only like atoms<br/>''like-all'' - all like atoms including a probe<br/>''all'' - all interactions<br/>The assembly of FF parameters related to NB interactions is also altered by normal/probe mode of individual sets (see probesize in [[Files::TARGETS | {TARGETS}]]/<nowiki>[SET]</nowiki>). | | determine how vdw parameters are handled for assembly of NB type pairs. Supported modes are:<br/>''normal'' - standard mode (all reasonable interactions)<br/>''like-only'' - only like atoms<br/>''like-all'' - all like atoms including a probe<br/>''all'' - all interactions<br/>The assembly of FF parameters related to NB interactions is also altered by normal/probe mode of individual sets (see probesize in [[Files::TARGETS | {TARGETS}]]/<nowiki>[SET]</nowiki>). | ||
|- style="vertical-align: top;" | |- style="vertical-align: top;" | ||
| | | nb_realms | ||
| | | 'er' | ||
| [[Control key types| | | [[Control key types|string]] | ||
| | | determine which realms for NB interactions are considered. Supported values are:<br/>''all'' - all realms<br/>''era'' - only ERA realms<br/>''er'' - only ER realms<br/> | ||
|- style="vertical-align: top; background-color: #f6f6f6;" | |- style="vertical-align: top; background-color: #f6f6f6;" | ||
| lj2exp6_alpha | | lj2exp6_alpha | ||