Hello, I'm trying to use the APBS plugin to evaluate the electrostatic properties of my protein. On the one hand, I've have this error: Unable to assign parameters for the 1 atom in selection 'unassigned'. Please either remove thes unassigned atoms and re-start the calculation or fix their parameters in the generated PQR file and run the calculation using the modified PQR file (select 'Use another PQR' in 'Main')
I tried to remove the selection but it seems that the atom in the selection has not been removed and I still obtain the same error message. Thus, I tried to edit the PQR file and I removed the atom in the PQR file but in this case I obtain a new error message: Reading PQR-format atom data from /home/Models/pymol-generated.pqr. Vio_ctor2: some error occurred. Vio_ctor: Vio_ctor2() failed. Problem opening virtual socket /home/Models/pymol-generated.pqr! Error reading molecules! ObjectMapLoadDXFile-Error: Unable to open file! could you explain the problem to me? thank you for your help, best regards, Anne L
