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INSTALLED SOFTWARE DESCRIPTION

NAMD

General Information

Short Description: Molecular Dynamics Simulation

Long Description:
A parallel molecular dynamics program for UNIX platforms designed for high-performance simulations in structural biology.

Category: Applications - Scientific and Engineering: Computational Chemistry

Vendor/Developer: Theoretical Biophysics Group, UIUC

Vendor Website: http://www.ks.uiuc.edu/

Software Website: http://www.ks.uiuc.edu/Research/namd/

Programming Language:

Terms of Use:

Installation Information

Version: 2.6b1 Version Date: 0000-00-00

Installed Site: National Center for Supercomputing Applications

Installed Platform: IA-64 Linux Cluster

Point of Contact: Sudhakar Pamidighantam

Installation Status: Complete

Installation Date: 2006-06-26

Usage Information

Usage URL:

Usage Information:
The executable namd2 is in /usr/projects/chemistry/namd/NAMD2.6 directory. To submit a NAMD job to the batch system, please type the following command: /usr/projects/chemistry/namd/runbatch Three arguments are required: NAMD_input_file NAMD_log_file number_of_nodes

User Guide Homepage:

License Information

Number of Licenses:

User Fee:

Type of License: N/A

Type of Installation: Available to all allocated users

Distribution Information: