From: Haiming Cao <hcao@hs...> - 2008-09-28 04:08:54
I am new to Pymol and have been trying to show electrostatic potential of a protein. I always got an error like “Unable to assign parameters for the x atoms in selection ‘unassigned’. Please either remove these 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”. Any advice to resolve this? A bit more details, I worked on a Windows XP and the default folder for pqr file is My Documents.
Thank you in advance.