VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Thu Nov 19 2009 - 12:29:08 CST

On Thu, Nov 19, 2009 at 12:48 PM, Rebecca Alexander <alexanr_at_wfu.edu> wrote:
>
> I'm using version 1.8.6 on a Vista laptop and getting an error when using the "solvate" command. I can load psf and pdb files as usual, but when I try to solvate I get the error
> couldn't open psf file filename.psf
> could not read file filename.psf
> unable to load file "filename.psf" using file type 'psf'.

> I used these files successfully on 1.8.6 previously and haven't changed them since. I first tried

rebecca,

you may have executed them in a different directory.
please check before calling solvate, whether the files
are actually present in the current working directory.

> downloading 1.8.7 and got the same error, thought I'd uninstall that and go back to the prior version but same error.

the part of the script that reads files didn't change. check whether
you have made any typos or something. if a script says, that something
isn't there, then it usually is indeed not there.

cheers,
   axel.

>
> Help!
> --
>
> Rebecca Wagner Alexander, PhD
> Associate Professor and Robert P. and Debra Lee Faculty Fellow
> Department of Chemistry Wake Forest University
> Winston-Salem, NC 27109-7486
> Email: alexanr_at_wfu.edu
> Tel: 336-758-5568
> Fax: 336-758-4656
> http://www.wfu.edu/~alexanr/ 

--
Dr. Axel Kohlmeyer    akohlmey_at_gmail.com
Institute for Computational Molecular Science
College of Science and Technology
Temple University, Philadelphia PA, USA.