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TINKER Modeling Workshop 2018

Dates & location

Dates: June 2-4, 2018(arrive on 6/1; depart 6/4 afternoon)
Meeting room: BME 3.204. Walking direction from AT&T to BME building (15 minutes walk from AT&T to BME)
Organizers: Pengyu Ren (pren@mail.utexas.edu); Jay Ponder (ponder@dasher.wustl.edu); Jean-Philip Piquemal (jpp@lct.jussieu.fr)

The Weather will be hot this weekend. In the morning it should be ok to walk from AT&T to the BME building. It will be over 100 F in the late afternoon. If you perfer not to walk, you may take uber, lyft or buses back to hotel.

Bus routes (3-4 minutes walk, 10 minutes ride) info: Google link for transportation 

Bring cash/changes if you will take buses.
Line 5 is the most convenient; runs every 30 minutes; single ride $1.25/day pass $2.00
Line 981/980, runs every 10 minutes, single ride $3.50/day pass $7.00

It is also good idea to bring an umbrella with you.


AT&T center

Reservation web link:  https://book.passkey.com/go/VATECH0618

If you prefer to call or have a special request, please call 1-877-744-8822 or 512-404-3600 and mention the block code:  VATECH0618

Even you are receving MolSSI/NSF support for the lodging expense, you are still expected to pay for the difference between the aculat cost and NSF limit (~$50 per night).

Hotel website: http://www.meetattexas.com/hotel  

Backup hotel

The rooms in our block may run ran out as the number of participants keeps increasing. The hampton inn next to AT&T center is a good alternative and the cost is similiar to AT&T group rate.http://hamptoninn3.hilton.com/en/hotels/texas/hampton-inn-and-suites-austin-the-university-capitol-AUSUAHX/index.html

Moving around Austin

Between Airport and hotel: Supershuttle (needs online reservation), taxi. Both uber and Lyft serve at AUS airport. 

Anywhere else in Austin: Uber or lyft is the most convenient to move around.


Breakfast (June 2, 3, & 4) for all non-local participants:

If you are staying at AT&T, you will get the breakfast vouchers when checking in.  The vouchers are for AT&T (grab & go) Cafe 125 (located at the L level, not LL).

If you are staying at the Hampton inn, it provides complimentary breakfast.

Link for AT&T Cafe 125
Menu for AT&T Cafe 125

Lunches for June 2 & 3 will be provided at the meeting site (please email organizers if you have any restrictions)

Lunch Menu:

Saturday (June 2) dinner/social event will be at the AT&T center hotel in room PDR 1&2 starting 6:30

Sunday night, restaurants on 6th street. There are many choices: Parkside, Eureka, 1886 cafe, Stella San Jac, Stubbs... Take Uber/Lyft, or bus (click for bus route)



Meeting location:

BME 3.204 (107 W. Dean Keeton St., Austin, TX 78712)

Wlaking direction from hotel to meeting (walk towards the UT tower...):

Google walking direction from ATT to BME building



National Science Foundation via MolSSI ([http://molssi.org/) http://molssi.org/)



Molecular modeling code development and synchronization, simulation algorithms and force field implementation, integration between programs, as well as tutorials and applications of TINKER, TINKER-HP/OpenMM.



Agenga document link

Please email pren@mail.utexas.edu if you would like to add any items to the agenda.
















Greg Beran UC Riverside
Bernie Brooks NIH/NHLBI
Dave Case Rutgers University
Sara Cheng UT Austin
Andres Cisneros University of North Texas
Tom Darden Openeye scientific
Akshaya Das UC Berkeley
Omar Demerdash oak ridge national laboratory
Peter Eastman Stanford University
Nohad Gresh Sorbonne Université
Matthew Harger UT Austin
Teresa Head-Gordon UC Berkeley
Chris Ho Drug Design Methodoligies
Luc-Henri Jolly Sorbonne Université
Preston Keller Kingdom Capital
Louis Lagardere Sorbonne Université
Filippo Lipparini University of Pisa
Jacob Litman University of Iowa
Chengwen Liu UT Austin
Marie Laury Washington University in St. Louis
Daniele Loco Sorbonne Université
Yvon Maday Sorbonne Université
Jessica Nash MolSSI
Paul Nerenberg California State University, Los Angeles
Dominique Nocito UC Riverside
Xiaoliang Pan Oklahoma University
Cong Pan HKUST
Jean-Philip Piquemal Sorbonne Université
Jay Ponder Washington University in St. Louis
Rui Qi UT Austin
Josh Rackers Washington University in St. Louis
Julia Rice IBM
Pengyu Ren UT Austin
Michael Schnieders University of Iowa
Yihan Shao Oklahoma University
Michael Schauperl UCSD
Andrew Simmonett NIH/NHLBI
Benjamin Stamm RWTH Aachen University
Ernest Smiley Kingdom Capital
Bill Swope IBM
Mark Tuckerman NYU
Sameer Varma University of South Florida
Brandon Walker UT Austin
George Whitwell North Carolina Wesleyan College
Wei Yang Florida State University
Zhi Wang Washington University in St. Louis
Guowei Wei Michigan State University