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.
 

---------------------------------
Do You Yahoo!?
150万曲MP3疯狂搜,带您闯入音乐殿堂
美女明星应有尽有,搜遍美图、艳图和酷图
1G就是1000兆,雅虎电邮自助扩容!

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:39:23 CST