diff options
| author | Emanuel Haupt <ehaupt@FreeBSD.org> | 2006-05-05 20:09:54 +0000 |
|---|---|---|
| committer | Emanuel Haupt <ehaupt@FreeBSD.org> | 2006-05-05 20:09:54 +0000 |
| commit | dfc2535ebee150f338339c3f68d4516433e0d7f4 (patch) | |
| tree | 61ba02bd85972c4a2881095213fd963d8446be7b /biology/protomol/pkg-descr | |
| parent | Update to 1.3.5. (diff) | |
Add protomol 2.0.3, OO, component based, framework for molecular
dynamics (MD) simulations.
PR: 95123
Submitted by: Sangwoo Shim <sangwoos@gmail.com>
Notes
Notes:
svn path=/head/; revision=161442
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/ |