solvate and write pdb, psf file.

From: Boyang Wang (pkuwangboyang_at_yahoo.com.cn)
Date: Wed Apr 27 2005 - 19:16:28 CDT

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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