VMD-L Mailing List

From: Jose Dinto (dinto.jose_at_mat.ethz.ch)
Date: Mon Jul 24 2006 - 09:56:41 CDT

Hi,
            I was trying to ionize a solvated structure with net charge 1300.0067e (before ionization)using autoionization of VMD. I tried both by manually typing commands and by using user interface. After around 30 minutes of the process, a message came, psf file could not be loaded. But in the directory, both ionized.psf and ionized.pdb is created, but both are blank files without any contents.
 
Kindly tell me what should I do to get the structure ionized.
 
Regards,
 
D.Jose