Re: [Apbs-users] about unassigned atoms

[Haiming C. <hc...@hs...>]

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. 

Haiming