From: amodzelewska_at_iimcb.gov.pl
Date: Tue Nov 08 2005 - 08:44:30 CST

John,
I don't see the Windows version on the link below. The problem concerns
only this version. Solvate in VMD1.8.4a22 on Linux works correctly.

Anna

> 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
>