Name: |
CHARMm |
Version(s): |
c30b1
|
Category: |
Molecular Modeling
|
Author(s)/Vendor(s): |
CHARMM Development Project
Professor Martin Karplus
Department of Chemistry & Chemical Biology
12 Oxford Street
Harvard University
Cambridge, Massachusetts 02138 |
Program Description: |
CHARMM (Chemistry at HARvard Molecular Mechanics) is a program for macromolecular
simulations, including energy minimization, molecular dynamics and Monte Carlo simulations.
|
Computer platform(s): |
SGI-MIPS(Irix)
Linux |
Location: |
/usr/local/fbscapp/accelrys/CHARMm30b1(standalone version)
It is also available in InsightII version 2000.1 (SGI-Irix only) and Quanta version
2000 (SGI-Irix only).
|
Access: |
Account at ABCC is required to use CHARMm.
CHARMm can be used as a standalone program. It is also be accessed from
InsightII and Quanta programs.
To use CHARMm as a standalone program:
source /usr/local/fbscapp/accelrys/cshrc_charmm
charmm < inputfile > outputfile
|
Documentation: |
http://www.scripps.edu/mb/brooks/ |
Web Site: |
http://yuri.harvard.edu/
http://www.scripps.edu/mb/brooks/ |
ABCC Contact Person: |
Sarangan Ravichandran
Karol Miaskiewcz
|
Created By: |
miaskiew
|
Created Time: |
2002-05-29 |
Updated By: |
miaskiew
|
Updated Time: |
2004-11-04 |