maxscheurer / pycontact

Analysis of non-covalent interactions in MD trajectories
https://pycontact.github.io/
GNU General Public License v3.0
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Error while loading data: Probably you specified an atom selection with 0 atoms or invalid input files #95

Open MinYRx opened 1 year ago

MinYRx commented 1 year ago

Hello. I am new to pycontact. I would like to ask if pycontact supports AMBER trajectory such as .parm7 as topology file and .nc as trajectory file (i tried convert the files into dcd and psf but it still doesnt work)? and how should I fill in the selection 1 and selection 2 part if i want to analysis the interaction between my ligand with all other residue?

Thank you for your attention.