diff options
| author | ehaupt <ehaupt@FreeBSD.org> | 2006-05-06 04:09:54 +0800 |
|---|---|---|
| committer | ehaupt <ehaupt@FreeBSD.org> | 2006-05-06 04:09:54 +0800 |
| commit | 84a792753de77f1ad3c84895d54491cd3f2104de (patch) | |
| tree | 235cdfe28761eeacdc1422c0eda800a586e841a4 /biology/protomol/pkg-descr | |
| parent | 03820e7d8eb84a300c8f0e2e759993adcd833667 (diff) | |
| download | freebsd-ports-gnome-84a792753de77f1ad3c84895d54491cd3f2104de.tar.gz freebsd-ports-gnome-84a792753de77f1ad3c84895d54491cd3f2104de.tar.zst freebsd-ports-gnome-84a792753de77f1ad3c84895d54491cd3f2104de.zip | |
Add protomol 2.0.3, OO, component based, framework for molecular
dynamics (MD) simulations.
PR: 95123
Submitted by: Sangwoo Shim <sangwoos@gmail.com>
Diffstat (limited to 'biology/protomol/pkg-descr')
| -rw-r--r-- | biology/protomol/pkg-descr | 15 |
1 files changed, 15 insertions, 0 deletions
diff --git a/biology/protomol/pkg-descr b/biology/protomol/pkg-descr new file mode 100644 index 000000000000..8a0b7239b89d --- /dev/null +++ b/biology/protomol/pkg-descr @@ -0,0 +1,15 @@ +ProtoMol is an object-oriented, component based, framework for molecular +dynamics (MD) simulations. The framework supports the CHARMM 19 and 28a2 force +fields and is able to process PDB, PSF, XYZ and DCD trajectory files. It is +designed for high flexibility, easy extendibility and maintenance, and high +performance demands, including parallelization. The technique of multiple +time-stepping is used to improve long-term efficiency. The use of fast +electrostatic force evaluation algorithms like Ewald, particle Mesh Ewald (PME), +and Multigrid (MG) summation further enhances performance. Longer time steps +are possible using MOLLY, Langevin Molly and Hybrid Monte Carlo, Nose-Hoover, +and Langevin integrators. In addition, ProtoMol has been designed to interact +with VMD, a visualization engine developed by the University of Illinois that is +used for displaying large biomolecular systems in three dimensions. ProtoMol is +freely distributed software, and the source code is available. + +WWW: http://protomol.sourceforge.net/ |