VMD-L Mailing List
From: John Stone (johns_at_ks.uiuc.edu)
Date: Tue Nov 08 2005 - 10:00:58 CST
- Next message: John Stone: "Re: Problems with Terminal and 1.8.4.a22 under OSX (Tiger 10.4.3)"
- Previous message: John Stone: "Re: graphics card"
- In reply to: Anna Modzelewska: "error when solvating protein/vmd1.8.4a22"
- Next in thread: amodzelewska_at_iimcb.gov.pl: "Re: error when solvating protein/vmd1.8.4a22"
- Reply: amodzelewska_at_iimcb.gov.pl: "Re: error when solvating protein/vmd1.8.4a22"
- Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]
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
> ************************************************************************
>
-- 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
- Next message: John Stone: "Re: Problems with Terminal and 1.8.4.a22 under OSX (Tiger 10.4.3)"
- Previous message: John Stone: "Re: graphics card"
- In reply to: Anna Modzelewska: "error when solvating protein/vmd1.8.4a22"
- Next in thread: amodzelewska_at_iimcb.gov.pl: "Re: error when solvating protein/vmd1.8.4a22"
- Reply: amodzelewska_at_iimcb.gov.pl: "Re: error when solvating protein/vmd1.8.4a22"
- Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]