VMD-L Mailing List

From: Anna Modzelewska (amodzelewska_at_iimcb.gov.pl)
Date: Mon Nov 07 2005 - 07:31:59 CST

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

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 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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