Summary & Purpose
This virtual machine contains ready-to-use software for molecular modeling, including tools to:
Initialize and manage and analyze molecular simulations:
Run molecular simulations:
Software complied from source is located in the ~/Code folder,use conda env list to list all of the conda environments.
The username is aiche and the password is gobroncos for the VM.
Date of Publication or Submission
This work was made possible by the Computational Materials Engineering Lab at Boise State University in Boise, Idaho.
Single Dataset or Series?
Virtual Machine, 64 bit Lubuntu 17.10
Privacy and Confidentiality Statement
Boise State is explicitly compliant with federal and state laws surrounding data privacy including the protection of personal financial information through the Gramm-Leach-Bliley Act, personal medical information through HIPAA, HITECH and other regulations. All human subject data (e.g., surveys) has been collected and managed only by personnel with adequate human subject protection certification.
Users are free to share, copy, distribute and use the dataset; to create or produce works from the dataset; to adapt, modify, transform and build upon the dataset as long as the user attributes any public use of the dataset, or works produced from the dataset, referencing the author(s) and DOI link. For any use or redistribution of the dataset, or works produced from it, the user must make clear to others the license of the dataset and keep intact any notices on the original dataset.
Disclaimer of Warranty
BOISE STATE UNIVERSITY MAKES NO REPRESENTATIONS ABOUT THE SUITABILITY OF THE INFORMATION CONTAINED IN OR PROVIDED AS PART OF THE SYSTEM FOR ANY PURPOSE. ALL SUCH INFORMATION IS PROVIDED "AS IS" WITHOUT WARRANTY OF ANY KIND. BOISE STATE UNIVERSITY HEREBY DISCLAIMS ALL WARRANTIES AND CONDITIONS WITH REGARD TO THIS INFORMATION, INCLUDING ALL WARRANTIES AND CONDITIONS OF MERCHANTABILITY, WHETHER EXPRESS, IMPLIED OR STATUTORY, FITNESS FOR A PARTICULAR PURPOSE, TITLE AND NON-INFRINGEMENT.
IN NO EVENT SHALL BOISE STATE UNIVERSITY BE LIABLE FOR ANY SPECIAL, INDIRECT OR CONSEQUENTIAL DAMAGES OR ANY DAMAGES WHATSOEVER RESULTING FROM LOSS OF USE, DATA OR PROFITS, WHETHER IN AN ACTION OF CONTRACT, NEGLIGENCE OR OTHER TORTIOUS ACTION, ARISING OUT OF OR IN CONNECTION WITH THE USE OR PERFORMANCE OF INFORMATION AVAILABLE FROM THE SYSTEM.
THE INFORMATION PROVIDED BY THE SYSTEM COULD INCLUDE TECHNICAL INACCURACIES OR TYPOGRAPHICAL ERRORS. CHANGES ARE PERIODICALLY ADDED TO THE INFORMATION HEREIN. COMPANY AND/OR ITS RESPECTIVE SUPPLIERS MAY MAKE IMPROVEMENTS AND/OR CHANGES IN THE PRODUCT(S) AND/OR THE PROGRAM(S) DESCRIBED HEREIN AT ANY TIME, WITH OR WITHOUT NOTICE TO YOU.
BOISE STATE UNIVERSITY DOES NOT MAKE ANY ASSURANCES WITH REGARD TO THE ACCURACY OF THE RESULTS OR OUTPUT THAT DERIVES FROM USE OF THE SYSTEM.
Jankowski, Eric, "AIChE 2018 CoMSEF Hands-On Workshop Molecular Modeling Toolbox" (). Computational Materials Engineering Laboratory. 5. Jankowski, Eric,