2013 AMS-536 Spring

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Instructor Dr. William J. Allen [631-632-8519, william.allen@stonybrook.edu]

Dr. Robert C. Rizzo [631-632-8519, rizzorc@gmail.com]

Course No. AMS-536 / CHE-536
Location/Time Math Tower, Room S235 (COMPUTER LAB next to SINC site), Mon/Wed 2:20PM - 3:40PM
Office Hours Anytime or by appointment, Math Tower, Room 3-129, Dept. of Applied Math & Statistics
Teaching Assistant Lingling Jiang, Room 3-129, 2-8519, Dept. of Applied Math & Statistics


Project Information

Project Approval Sheet


Oral Presentation Guidlines: These meetings should be formal and your chance to tell a complete story. Talks should be presented in PPT format and be 30 minutes long. The purpose of your talks is for you to clearly and concisely present your overall progress to date including appropriate background material and interpretation of your results. Talks should be arranged in the following order:

  • Introduction/Background (include biological relevance)
  • Specifics of Your System
  • Computational Details (theory)
  • Computational Details (system setup)
  • Results and Discussion (include a critical interpretation of your results)
  • Conclusions
  • Future
  • Acknowledgments


Final Report Guidelines and Example Final Papers


Tutorials, Software Links, and Other Relevant Class Information


Schedule

  • Each participant please update the Wiki as required with the title of your talk.
  • Please note that a doctors excuse will be required if you miss your scheduled oral presentation date because of illness.


Date Participant Talk
2012.01.28 First Day of Class and Organizational Meeting
Group Study
Mathlab account setups, Unix and vi tutorials
(1) http://www.ee.surrey.ac.uk/Teaching/Unix
(2) At Linux command prompt type "vimtutor" (without the quotes) to start a built in tutorial for the text editor program called vi
2012.01.30 Group Study Continue Mathlab account setups, Unix and vi tutorials
(1) http://www.ee.surrey.ac.uk/Teaching/Unix
(2) At Linux command prompt type "vimtutor" (without the quotes) to start a built in tutorial for the text editor program called vi
2012.02.04 Group Study Visualization/analysis software,
VMD, MOE, Chimera,
Seawulf account setups, environments, shell scripting, misc unix
2012.02.06 Group Study Visualization/analysis software,
VMD, MOE, Chimera,
Seawulf account setups, environments, shell scripting, misc unix
2012.02.11 Group Study Visualization/analysis software,
VMD, MOE, Chimera,
Seawulf account setups, environments, shell scripting, misc unix
2012.02.13 Group Study Cheat Sheet: Unix, Vi, C_Shell_Scripting
2012.02.18 Group Study Tutorials: DOCK
individual project discussion Allen, W.
2012.02.20 Group Study Tutorials: DOCK
individual project discussion
2012.02.25 Group Study Tutorials: DOCK
individual project discussion
2012.02.27 Group Study Tutorials: DOCK
individual project discussion
2012.03.04 Group Study Tutorials: DOCK
wiki editing
2012.03.06 Group Study Tutorials: AMBER
individual project discussion Jiang L.
2012.03.11 Group Study Tutorials: AMBER
individual project discussion
2012.03.13 Group Study Tutorials: AMBER
individual project discussion
2012.03.18 Spring Recess Spring Recess
2012.03.20 Spring Recess Spring Recess
2012.03.25 Group Study Tutorials: AMBER
individual project discussion
2012.03.27 Group Study Tutorials: AMBER
wiki editing
2012.04.01 Group Study Project Setups / Troubleshooting
2012.04.03 Group Study Project Setups / Troubleshooting
2012.04.08 TBD Project Proposal
2012.04.10 TBD Project Proposal
2012.04.15 TBD Project Proposal
2012.04.17 Preliminary Report Due
TBD
Project Proposal
2012.04.22 TBD Project Proposal
2012.04.24 TBD Progress Report
2012.04.29 TBD Progress Report
2012.05.01 TBD Progress Report
2012.05.06 TBD Progress Report
2012.05.08 Last Day of Class
TBD
Progress Report
2012.05.15 Final written report due by 5PM today. Late papers will not be accepted. See above for sample reports and detailed guidelines. Give hard copy to Lingling Jiang (Math Tower room 3-129) and email electronic copy to rizzorc@gmail.com