problem during backmapping

marrink-lab / vermouth-martinize

Describe and apply transformation on molecular structures and topologies

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Closed mmidhun97 closed 1 year ago

mmidhun97 commented 1 year ago

Dear sir when im backmapping the protein using gromacs im getting the following problem.

Fatal error: Incomplete ring in HIS8

could you please help

Regards, Midhun Anila Research scholar Laboratory of Biophysics SL-4 institute of physics polish academy of sciences Warsaw

pckroon commented 1 year ago

Hi, martinize2 does not deal with backmapping. Martinize2 converts structures from AA to CG.