Hello,
I am using Pycontact for the first time.
My molecular dynamic calculation where done with the xTB software. The trajectory format is just a XYZ-like file with each frame in sequence. Using VMD, I created a multimodel PDB: also each frame is in sequence.
Is it possible to use those results with Pycontact? I tried to load the files but I got the error:
Error while loading data: Probably you specified an atom selection with 0 atoms or invalid input files
Is it possible to use Pycontact work with xTB?
Regards,
Camps
Hello,
I am using Pycontact for the first time.
My molecular dynamic calculation where done with the xTB software. The trajectory format is just a XYZ-like file with each frame in sequence. Using VMD, I created a multimodel PDB: also each frame is in sequence.
Is it possible to use those results with Pycontact? I tried to load the files but I got the error:
Error while loading data: Probably you specified an atom selection with 0 atoms or invalid input filesIs it possible to use Pycontact work with xTB?
Regards,
Camps