We released a new source archive to disseminate another round of bug fixes to the user community. As before, please refer to the Files tab for more information (the README.txt of today, 05/29/2015, has the complete list). The new archives incorporate all prior fixes to version 2.
The presumably most relevant bug fixes are to the replica exchange method with swaps amongst all replicas and to minimizers. We have also included 3 extended or modified features (see README.txt). This is hopefully the last such update before the release of version 3.
We released a new source archive to disseminate additional bug fixes to the user community. Please consult the Files tab for more information (the updated README.txt from today, 01/27/2015, has a full list). The new archives of course include all prior fixes.
As an indirect early announcement of future things to come, most of these errors were discovered during preparations for the release of Version 3 of CAMPARI. Because v3 will support multithreaded execution using OpenMP in almost all branches of the software, a large amount of code had to be rewritten or at least reanalyzed and tested against the prior implementations. These tests occasionally unmasked hidden bugs. The targeted release date for CAMPARI v3 is some time in the summer. As usual, development versions are available on request.
We have identified and fixed a potentially relevant bug in replica exchange calculations. It can be fixed by downloading and recompiling a single source file (see the Files tab for more information).
We released a new source archive to disseminate a few minor bug fixes to rarely used features. Please consult the Files tab for more information (updated README.txt has a full list).
CAMPARI version 2 is now available from this page. Please do not use older versions any longer. All functionality of CAMPARI v1.0.1 has been retained.
CAMPARI is now available for download from this page.
The source code is obtainable as two types of compressed archives. These contain the complete documentation, examples, parameters, and a few tools as well.
Furthermore, we have uploaded plots and raw data of energies for a number of model systems to compare force field implementations. We used reference implementations in Charmm35b2 (CHARMM), Gromacs-4.0.5 (GROMOS), and Gromacs-4.5.2 (AMBER, OPLS) to generate these data.