If you get stuck or have feedback, I can reached at:
If I'm busy, I may decline, but either way, I will reply within a few days.
The issues I choose to work on may be prioritized by how relevant
they are to my current work, but bug reports and feature requests
are always welcome.
Bug patches (github pull requests) will be treated with priority.
Moltemplate was written by Andrew Jewett.
Force fields and force-field conversion tools were provided by:
- Jason Lambert (OPLS, TINKER)
- Matthew Bone (U. Bristol, DREIDING)
- David Stelter (Boston University, MARTINI, SDK, EMC)
- Sebastian Echeverri Restrepo (LOPLS)
The following examples and molecule models were submitted by moltemplate users:
Programming help, code suggestions, and documentation were provided by:
- Saeed Momeni Bashusqeh (MARTINI lipid examples)
- Oscar Matus Rivas (ELBA water example, McGill University)
- Yue Chun Chiu (OPLSUA example, Chinese University of Hong Kong)
- Otello M. Roscioni (MOLC ellipsoid example, U.Southampton, MaterialX LTD)
- Matteo Ricci (MOLC ellipsoid example, University of Bologna, MaterialX LTD)
- Jichen Li (TIP4P example, University of Science and Technology, China)
- Andres Jaramillo-Botero (files used in electron Force Field eFF example, Caltech)
- Valerio Molinero (files used in MW water example, University of Utah)
- Aysun Itai (files used in ltemplify.py CNAD+CNT conversion example)
Additional people have submitted contributions using github pull requests,
(ranging from bug-fixes, force-field corrections, and example corrections),
some of whome are not listed here.
A complete list of github contributors is available
I am also greateful to users who reported bugs.
Their efforts were critically important, and I am now feeling
embarassed that I failed to maintain a list of their names.
If you are one of them, feel free to contact me, and I will list you here.
(If anyone was omitted for any reason, please contact
- Shyam Saladi, Caltech
- Sebastian Gsänger
- Jichen Li, University of Science and Technology, China