TINKER – Software Tools for Molecular Design
Version 8.11 June 2024
Copyright © 1990-2024
Washington University in Saint Louis (WU), The University of Texas at Austin(UT Austin), and Sorbonne Université (Sorbonne)
Tinker is a modular program package for molecular mechanics-based potential energy
calculations, geometry optimization, molecular dynamics simulation, free energy calculations,distance geometry and structural analysis. This Tinker license covers the source codes andexecutables comprising the three Tinker codes: Tinker, Tinker-HP and Tinker-OpenMM.
1.
On behalf of the Tinker developer community, an informal consortium of researchers also
known as the Tinker Core Development Consortium ("TCDC") formed by Washington Universityin Saint Louis (MO, USA), The University of Texas at Austin (TX, USA) and Sorbonne Université(Paris, France) (collectively, TCDC-Members, individually TCDC-Member), the TCDC-Members
hereby grant to the Licensee (as identified in the signature block below) a non-exclusive, nonsublicensable, non-transferable, revocable, non-commercial license to use the object and sourcecode versions of the software known as “Tinker Software” (the "Software"), for internal
academic purposes only, including the right and license to incorporate improvements to theSoftware, for a period of five (5) years subject to the terms and conditions below. All rights, title,interest and copyright to the Software, to all portions thereof, and to any associated documentation
shall at all times remain the property of WU, UT Austin and Sorbonne.
2.
A member of the TCDC will provide access to the Software to the Licensee, which may
install the Software on a local network controlled by the Licensee's responsible official and for theuse by the Licensee in accordance with this Agreement. The Software may be used beyond a local
network or on a supercomputing center only if indicated by the Licensee in the Research Purpose
section below. The Licensee may not sublicense the use of the Software, or make it available tothird parties, without the prior written consent of at least one TCDC-Member.
3.
The Licensee accepts the Software "as is” and understands that it is experimental in nature.
The TCDC and TCDC-Members disclaim any and all representations and warranties, expressed orimplied, or statutory, of any kind or nature with respect to the Software, including without
limitation any warranty of merchantability or fitness for a particular purpose or non-infringementof any third-party patent, copyright, or any third-party right. The TCDC and all TCDC-Members,
their trustees, faculty, staff, students and agents, shall not be liable to Licensee, its successors,
assigns, contractors or sublicensees or any third party in any event for any damages or claims,
whether direct or indirect, special, consequential or incidental, arising from the use of theSoftware.
4.
Licensee agrees to indemnify, defend, and hold harmless TCDC and TCDC-Members, theirpersonnel, affiliates, and each of their respective trustees, faculty, staff, employees, students,directors, officers, agents, successors and assigns (altogether the “TCDC Indemnitees”) from, forand against any and all judgments, settlements, losses, expenses, damages and/or liabilities and anyand all court costs, attorneys’ fees, and expert witness fees and expenses that a TCDC Indemnitee
may incur from any and all allegations, claims, suits, actions or proceedings (the “Claims”) arisingout of, relating to, or incidental to Licensee’s breach of this Agreement or its use, development,

modification, or other exploitation of Software, whether by or through Licensee, and including all
Claims for infringement, injury to business, personal injury, and product liability. The obligations
set forth in this Section shall survive termination of this Agreement, shall continue even after
assignment of rights and responsibilities, and shall not be limited by any provision of thisAgreement outside this Section.
5.
The Licensee may create computer programs that incorporate or modify the Software orresemble its structure, sequence or organization and may install and use such modified programson computers for which use of the Software is authorized as described in Section 2. The Licensee
may distribute binaries of the modified Software over the public community Tinker web site(www.tinkertools.org). Licensee grants to the TCDC and each TCDC-Member a non-exclusive
license, with right to sub-license, to any and all source code that is delivered to the TCDC for
possible inclusion in further releases of the Software.
6.
The Licensee agrees, in perpetuity, not to disclose the Software to any third party and touse it only for the purposes of this Agreement, unless the TCDC gives prior written consent. In
protecting the Software, the Licensee must use at least the same degree of care it uses to protect its
own computer programs and other confidential information.
7.
The user agrees that any reports or published results obtained with the Software will
acknowledge its use by the appropriate citation. Considering the use of Tinker, any published work
which utilizes the software shall give appropriate acknowledgement to the Tinker developer
community's contribution by including the following main reference:“TINKER 8: Software Tools for Molecular Design, Joshua A. Rackers, Zhi Wang, Chao Lu,Marie L. Laury, Louis Lagardère, Michael J. Schnieders, Jean-Philip Piquemal, Pengyu Ren andJay W. Ponder, Journal of Chemical Theory and Computation, 14, 5273-5289, 2018.
(DOI: 10.1021/acs.jctc.8b00529; PMCID: PMC6335969)”
Considering the use of the specific Tinker-HP code, included in the Tinker distribution, any
published work which utilizes Tinker-HP shall give, in addition to the main Tinker reference,
appropriate acknowledgement to the Tinker-HP developer community's contribution by including
the following reference:“Tinker-HP: A Massively Parallel Molecular Dynamics Package for Multiscale Simulationsof Large Complex Systems with Advanced Polarizable Force Fields, Louis Lagardère, LucHenri Jolly, Filippo Lipparini, Félix Aviat, Benjamin Stamm, Zhifeng F. Jing, Matthew Harger, G.
Andres Cisneros, Nohad Gresh, Yvon Maday, Pengyu Ren, Jay W. Ponder, Jean-Philip Piquemal,Chemical Science, 9, 956-972, 2017, DOI: 10.1039/c7sc04531j”
Considering the use of the specific Tinker-OpenMM code, included in the Tinker distribution, any
published work which utilizes Tinker-OpenMM shall give, in addition to the main Tinker
reference, appropriate acknowledgement to the Tinker-OpenMM developer community's
contribution by including the following reference:“Tinker-OpenMM: Absolute and Relative Alchemical Free Energies using AMOEBA on
GPUs. Matthew Harger, Daniel Li, Zhi Wang Kevin Dalby, Louis Lagardère, Jean-PhilipPiquemal , Jay Ponder, Pengyu Ren, Journal of Computational Chemistry, 38, 2047-2055, 2017,
DOI 10.1002/jcc.24853”

8.
This license may be terminated upon twenty days’ notice for any breach of this Agreement,
provided that that breach has not been corrected prior to the expiry of such notice.
9.
Commercial use of the Software, or derivative works based thereon, REQUIRES ACOMMERCIAL LICENSE. Should Licensee wish to make commercial use of the Software,
Licensee will contact the agency listed below which holds exclusive rights to negotiate an
appropriate commercial license. Commercial Purposes include any sale, lease, license, or othertransfer of the Software in its entirety or in part, to another entity. Commercial Purposes also
includes, without limitation, uses of the Software by any entity, including Licensee, to perform any
service for sale or contract research, to produce or manufacture products for sale.
For information regarding a commercial license for Tinker, please contact:
Qubit Pharmaceuticals
ATTN: Mr. Robert Marino
Qubit Pharmaceuticals
24 rue du Faubourg Saint-Jacques
75014 Paris, France
Email: robert@qubit-pharmaceuticals.com
10.
Notice. Any notices or disclosures required or provided by the terms of this agreement shallbe in writing and shall be delivered personally or sent by certified or registered mail, return receipt
requested, postage prepaid or by internationally-recognized express mail service providing
evidence of delivery. The effective date of any notice shall be the date of first receipt by thereceiving Party or the date of refusal of receipt. Notices shall be sent to the addresses andaddressees given below:
For North and South America and outside of Europe, preferably:
Washington University in Saint Louis
Washington University in Saint Louis
Department of Chemistry
Campus Box 1134
One Brookings DriveSaint Louis, MO 63130 U.S.A.
c/o: Prof. Jay W. Ponder
The University of Texas at Austin
Department of Biomedical Engineering
Cockrell School of Engineering
The University of Texas at Austin
107 W. Dean Keeton, BME Building
1 University Station, C0800
Austin, TX 78712 U.S.A.
c/o: Prof. Pengyu Ren

For Europe, preferably:

Sorbonne Université
Laboratoire de Chimie Théorique (LCT, UMR 7616)
CC 137, 4, Place Jussieu F-75252 Paris cedex 05 FRANCE
c/o: Prof. Jean-Philip Piquemal
Administrative Contact:
Sorbonne Université
Direction de la Recherche et du Transfert de Technologies
Tour Zamansky
4, Place Jussieu, 75252 Paris cedex 05 FRANCE
c/o: Mrs. Sophie Cluet - Ref. Sorbonne: X17/1504
As a Tinker licensee, we ask you to please Sign, Complete and Return the Research
Description on the following page.

Licensee:(Signature)(Name and Title)(Name and Title of Responsible Official,
if not Signing Authority)(Organization)(Address)(Email Address)

Description of Research Purpose:

In addition to the describing the Research Purpose, please address the following questions.
(1) How many users will have access to the Software?

(2) Will the Software be installed on a single or multiple computer(s)?

(3) Will users be able to use the Software beyond a local network?

(4) Will the Software be installed at a supercomputing center?

(Date)