VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Mon Jul 24 2006 - 11:59:11 CDT

Hi,
  What version of VMD were you running? How large was the structure you
were working on? (30 minutes is a long time!)

  John Stone
  vmd_at_ks.uiuc.edu

On Mon, Jul 24, 2006 at 04:56:41PM +0200, Jose Dinto wrote:
> 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
> 

-- 
NIH Resource for Macromolecular Modeling and Bioinformatics
Beckman Institute for Advanced Science and Technology
University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801
Email: johns_at_ks.uiuc.edu                 Phone: 217-244-3349
  WWW: http://www.ks.uiuc.edu/~johns/      Fax: 217-244-6078