VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Tue Nov 08 2005 - 10:00:58 CST

Hi,
  Can you try out VMD 1.8.4 beta 2 and let me know if solvate works
correctly for your structure?:
  http://www.ks.uiuc.edu/Research/vmd/alpha/

  John Stone
  vmd_at_ks.uiuc.edu

On Mon, Nov 07, 2005 at 02:31:59PM +0100, Anna Modzelewska wrote:
> Hi,
> I wanted to put a protein in the water box with the VMD1.8.4a22 on Windows2000.
> I did it as usually by typing in the TkConsole: "solvate arsmd.psf arfotwist.pdb -t 10" and I got an error:
>
> "reading structure from psf file arsmd.psf
> reading coordinates from pdb file arfotwist.pdb
> reading structure from psf file e:/programy/vmd184/plugins/noarch/tcl/solvate1.2/wat.psf
> Error processing bonds
> MOLECULE DESTROYED BY FATAL ERROR! Use resetpsf to start over."
>
> I tried the same with VMD1.8.3 and it worked.
> Anyone know what is wrong?
>
> Best Regards
> Anna
>
> ************************************************************************
> Anna Modzelewska, M.Sc. amodzelewska_at_iimcb.gov.pl
> International Institute of Molecular and Cell Biology
> http://www.iimcb.gov.pl/
> Trojdena 4, 02-109 Warsaw, Poland
> phone: +48 22 5970721 fax: +48 22 5970715
> ************************************************************************
> 

-- 
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