From: \ (jonathan_at_ibt.unam.mx)
Date: Thu Apr 28 2005 - 11:33:40 CDT
Hello. Maybe you just need to type the full path to the PSF?
Quoting Boyang Wang <pkuwangboyang_at_yahoo.com.cn>:
> Hi all. I opened Tk console and wrote:
>
> "package require solvate
> solvate alanin.psf alanin.pdb -t 5 -o alanin-wb"
>
> To solvate a molecule called alanin in a water box of 5 angs in each
> direction and write the psf and pdb file for the solvated molecule in
> alanin-wb.psf and alanin-wb.pdb
>
> But the command line says that "unable to load structure file
> alanin.psf"
>
> The alanin.psf file is good. So what could be wrong?
>
> The alanin.psf and alanin.pdb files are from the Namd-tutorials.
>
>
> Thanks.
>
> Boyang
> dept. Chem.
> Univ. Illinois, Chicago.
>
>
>
>
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