campari to run in linux online online with Winfy

We have hosted the application campari to run in linux online in order to run this application in our online workstations with Wine or directly.

Quick description about campari to run in linux online:

We are proud to introduce version 3 of CAMPARI. This is a big step from version 2 primarily due to the comprehensive OpenMP (threads parallelism) support and due to significant improvements in both usability and performance. We have also again added a number of new algorithms from the recent literature, and CAMPARI of course continues to support the ABSINTH force field paradigm and implicit solvation model.

CAMPARI is a joint package for performing and analyzing molecular simulations, in particular of polymers of biological relevance. It focuses on a wide availability of algorithms for (advanced) sampling and is capable of combining Monte Carlo and molecular dynamics sampling in seamless fashion. CAMPARI offers the user a very high level of control over all implemented features. For more information and features, please refer to the project's homepage at http: //campari.sourceforge.net. Version 2 is no longer actively maintained but the final version continues to be available.

Features:

• Combined MC and MD sampling, MD in Cartesian or torsional / rigid-body space
• Efficient OpenMP parallelization of all core energy/force routines
• On-the-fly analysis or execution as a trajectory analysis tool (also in parallel)
• Many built-in analysis routines (DSSP, contact maps, pair correlation functions, etc.)
• Support for several structural clustering and related algorithms along with Markov state model analyses
• Fully documented (html) and in addition shipped with 13 tutorials
• Very high level of control (e.g., custom holonomic constraints in MD)
• Wide support for parallel multi-replica simulation techniques like replica exchange in hybrid MPI/OpenMP parallel execution
• Stand-alone analysis facility for the clustering/Markov state model facilities

Audience: Science/Research.
User interface: Console/Terminal.
Programming Language: Fortran.

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