ABCC : Application's document Page

PBCAID At ABCC
Name: 
PBCAID
Version(s): 
1.0
Category: 
Molecular Modeling; Molecular Visualization
Author(s)/Vendor(s): 
Xiaoliang Qian, and Prof. Tamar Schlick
New York University
Program Description: 
PBCAID is to assist the setup process for molecular simulation. It
provides optimization of the dimemsions and orientation of the
periodic boundary cell. It reduces the volume of the periodic cell
by finding the solute rotation that yields the smallest periodic
cell dimentions. Results show that PBCAID can optimize system
volumes by 20 to 70% which leads to substantial computational
savings in the non-bonded pairs calculations.
Computer platform(s): 
SGI
Location: 
/usr/local/fbscapp/pbcaid
Access: 
set path = ($path /usr/local/fbcsapp/pbcaid/bin)
pbcaid [formatfile] [crdfile]
Documentation: 
file /usr/local/fbscapp/pbcaid/README
Web Site: 
http://monod.biomath.nyu.edu/index/software.html
ABCC Contact Person:
Created By: 
miaskiew
Created Time: 
2002-03-01
Updated By: 
miaskiew
Updated Time: 
2002-04-22
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