Create Your Own Force Field (CRYOFF)
Key develpers: Feng Wang, Omololu Akin-ojo, Jicun Li, Zhonghua Ma, Ying Yuan, T. Ryan Rogers(manual and tutorial)
(To open this file, please run tar -xvzf filename.tar.gz)
This package contains the CRYOFF source code file. See user manual below for instructions on compilation and execution.
There are some minor changes in the input file format from version 2.6. Please see manual.
The 3.0.0 version has signficantly reduced memory requirement for parallel executions.
CRYOFF user's manual
CRYOFF user's manual pdf for CRYOFF version 2.7 and later
Adaptive Force-matching Toolkit
This version provide support for the 2.7 version of CRYOFF. It also provide improved support for more electronic structure packages for QM/MM calculations.
Usage Manual for AFM Toolkit
Manual pdf for AFM Toolkit-V1.2.1
Tutorials
Force matching with CRYOFF. (This tutorial released in May 2023 fits a model for 1,4 butanediol in water using AFM tools and CRYOFF.)
The file associated with the 1,4 butanediol tutorial can be downloaded here.
Creating a Mode for Neat Cyclopentane. (More advanced tutorial.)
The file associated with the cyclopentane tutorial can be downloaded here.
Disclaimer:
The CRYOFF source code and associated documentation are provided free of charge, and the user assumes
any risk and responsibility associated with downloading, using, or modifying these materials. The software comes without any warranty
explicit or implicit. There is no guarantee on the correctness of results obtained with the code. The user is expected to inspect the code and determine correctness and suitibility for his/her own project. Redistribution and modification of the code is subject to the terms outlined in the GNU General Public License.
Please email fengwang_antispam_uark.edu for broken links. (please replace _antispam_ with @.)