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marrink-lab / vermouth-martinize

Describe and apply transformation on molecular structures and topologies
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elnedyn along with martini3 #497

Closed dim-99 closed 1 year ago

dim-99 commented 1 year ago

Hi,

Is it possible to use elnedyn along with martini3 ? the only option I see when using martinize2 is elnedyn22, elnedyn22p and elnedyn.

Thank you,

Best, Dimuthu

fgrunewald commented 1 year ago

Hi,

The Martini 3 protein model was not optimised in relation with Elnedyn. So it is not available a an option. Alternatively, we recommend using a Go-like model for more accurate flexibility, if the usual elastic network does not work for you.

Cheers, Fabian

dim-99 commented 1 year ago

Thanks !