23 March 2023

To : Dr. Spencer Bliven (LICENSEE)
Email : spencer.bliven@psi.ch

1) HARVARD grants to LICENSEE a non-exclusive, and non-transferable license to use CHARMM 47
(Copyright  1984, 1987, 1991, 1992, 1994, 1995, 1996, 1997, 1998, 1999, 2001, 2002, 2003, 2004, 2005, 2006, 2007, 2008, 2009, 2010, 2011, 2012, 2013, 2014, 2015, 2016, 2017, 2018, 2019, 2020, 2021, 2022, 2023 
by the President & Fellows of Harvard University), a system of computer
programs for macromolecular energy minimization and dynamics, including
the source code and associated documentation furnished hereunder
(hereinafter called CHARMM), upon the terms and conditions hereinafter
set out and until LICENSEE discontinues use of CHARMM. Use of CHARMM is
restricted to the LICENSEE and direct collaborators at his/her
institution who have agreed to accept the terms of this license.

2) LICENSEE acknowledges that CHARMM is a research tool still in the
development stage, that it is being supplied "as is" without any
accompanying services or improvements from HARVARD and that the program
is distributed to enable others to utilize CHARMM in their scholarly
activities.

3) HARVARD makes no representations or warranties, express or implied. By
way of example, but not limitation, HARVARD makes no representations or
warranties of merchantability or fitness for any particular purpose or
that the use of the licensed software components or documentation will
not infringe any patents, copyrights, trademarks or other rights. HARVARD
shall have no liability nor be liable for any direct, indirect or
consequential damages with respect to any claim by LICENSEE or any third
party on account of or arising from this Agreement or use of CHARMM.

4) LICENSEE agrees that it will use CHARMM (and any modifications,
improvements, or derivatives to CHARMM that LICENSEE may create) solely
for internal, non-commercial purposes. The term "non-commercial," as used
in this Agreement, means academic or other not-for-profit scholarly
research which (a) is not undertaken for profit, or (b) is not intended
to produce works, services, or data for commercial use, or (c) is neither
conducted, nor funded, by a person or an entity engaged in the commercial
use, application or exploitation of works similar to CHARMM, unless such
funding confers no commercial rights to the funding person or entity.

5) The LICENSEE shall not disclose in any form either the delivered
CHARMM or any modifications or derivative works based on CHARMM to third
parties without prior written authorization from The CHARMM Development
Project. If the LICENSEE receives a request to furnish all or any portion
of CHARMM to any third party, he/she will not fulfill such a request and
will refer it in writing to The CHARMM Development Project. LICENSEE
agrees that this license is for his/her research at the present location
along, as listed on the address above; if he/she moves to another
location, a new license must be issued or the program returned to The
CHARMM Development Project.

6) LICENSEE agrees to notify HARVARD of any modifications, improvements,
or derivatives made to CHARMM, as described in Section 4, above. Any
modifications or derivative works based on CHARMM are considered part of
CHARMM and ownership thereof is retained by HARVARD. Reports of such
modifications or derivative works are to be made to HARVARD.

7) The LICENSEE may make a reasonable number of copies of CHARMM for
internal use for the purposes of backup, maintenance of CHARMM or the
development of derivative works based on CHARMM. These additional copies
will carry the copyright notice and will be controlled by this license,
and will be destroyed by the LICENSEE upon termination of the license.

8) Ownership of all rights, including copyright in CHARMM and in any
material associated therewith, shall at all times remain with HARVARD,
and LICENSEE agrees to preserve same. LICENSEE agrees not to use any
portion of CHARMM in any machine-readable form outside CHARMM, nor to
make any copies except for its internal use, without prior written
consent of HARVARD. LICENSEE agrees to place the appropriate copyright
notice on any such copies.

9) This Agreement shall be construed, interpreted and applied in
accordance with the Commonwealth of Massachusetts, and any legal action
arising out of this Agreement or use of CHARMM shall be filed in a court
of the Commonwealth of Massachusetts.

10) Nothing in this Agreement shall be construed as conferring rights to
use in advertising, publicity or otherwise any trademark or the name of
"HARVARD."

11) LICENSEE agrees that any reports or publication of results obtained
with CHARMM will acknowledge its use by an appropriate citation. Until
further notice this would refer to the CHARMM program and to the papers:
B. R. Brooks, R. E. Bruccoleri, B. D. Olafson, D. J. States, S.
Swaminathan, and M. Karplus, CHARMM: A Program for Macromolecular Energy,
Minimization, and Dynamics Calculations, J. Comp. Chem., 4, 187-217
(1983); and B. R. Brooks, C. L. Brooks III, A. D. MacKerell, Jr., L.
Nilsson, R. J. Petrella, B. Roux, Y. Won, M. Karplus, et al., CHARMM: The
Biomolecular Simulation Program, J. Comput. Chem., 30, 1545-1614 (2009).

Agreed to and signed electronically on 23 March 2023 by

Dr. Spencer Bliven
Scientific Computing, Theory, and Data
Paul Scherrer Institute

Email: spencer.bliven@psi.ch


