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Illinois Tools: NanoGromacsDemo

By Dairui Chen1, Derrick Kearney2, Jay Mashl1, Nahil Sobh1, Eric Jakobsson1

1. University of Illinois at Urbana-Champaign 2. Purdue University

Implementation of the popular molecular dynamics software suite GROMACS

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Version 2.1.1 - published on 31 May 2011

DOI: 10254/nanohub-r2935.4 cite this

This tool is closed source.

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Usage

Table 1: Overview
Item Average Total
Simulation Users: - 105
Interactive Sessions: - 328
Simulation Sessions: - 196
Simulation Runs: - 570
Wall Clock Time: 6.13 hours 50.02 days
CPU time: 9.65 minutes 1.31 days
Interaction Time: 2.43 hours 19.88 days

Table 2: Users By Organization Type
# Type Users Percent
1 Educational - University 90 85.71
2 Unidentified 5 4.76
3 Industry 3 2.86
4 Government Agency 3 2.86
5 Unemployed 2 1.9
6 National Lab 2 1.9
7 Educational - Pre-College 2 1.9
Total Users 105 100
Table 3: Users by Country of Residence
# Country Users Percent
1 UNITED STATES 58 55.24
2 INDIA 13 12.38
3 BRAZIL 4 3.81
4 CHINA 4 3.81
5 RUSSIAN FEDERATION 3 2.86
6 CROATIA 3 2.86
7 CANADA 2 1.9
8 GERMANY 2 1.9
9 SPAIN 2 1.9
10 UNITED KINGDOM 1 0.95
Total Users 105 100
Table 4: Top Domains by User Count
# Domains Users Percent
1 Unidentified 30 28.57
2 comcast.net 8 7.62
3 uiuc.edu 8 7.62
4 purdue.edu 7 6.67
5 sbcglobal.net 4 3.81
6 rcac.purdue.edu 4 3.81
7 insightbb.com 3 2.86
8 verizon.net 3 2.86
9 berkeley.edu 3 2.86
10 vsnl.net.in 2 1.9
Total Users 105 100

Location of all "Illinois Tools: NanoGromacsDemo" Users Since Its Posting

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