Difference between revisions of "NAMD"

Revision as of 21:44, 4 September 2012

[[Category: Molecular Dynamics]

Description

NAMD, recipient of a 2002 Gordon Bell Award, is a parallel molecular dynamics code designed for high-performance simulation of large biomolecular systems. Based on Charm++ parallel objects, NAMD scales to hundreds of processors on high-end parallel platforms and tens of processors on commodity clusters using gigabit ethernet. NAMD uses the popular molecular graphics program VMD for simulation setup and trajectory analysis, but is also file-compatible with AMBER, CHARMM, and X-PLOR.

Required Modules

Modules documentation

Parallel

intel
openmpi
fftw
namd

Parallel with CUDA

intel
openmpi
fftw
cuda
namd

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-[[Category:Software]][[Category:Numerical]]
+[[Category:Software]][[Category: Molecular Dynamics]
 {|<!--CONFIGURATION: REQUIRED-->
 |{{#vardefine:app|NAMD}}
@@ Line 18: / Line 18: @@
 {{App_Description|app={{#var:app}}|url={{#var:url}}|name={{#var:app}}}}|}}ks.)
-Fastest Fourier Transform in the West, is a C library for computing the Discrete Fourier Transform (DFT) in one or more dimensions, of arbitrary input size, and of both real and complex data. Developed at MIT, it is by far the fastest implementation of FFT algorithm (upheld by regular benchmar<!--Modules-->
+NAMD, recipient of a 2002 Gordon Bell Award, is a parallel molecular dynamics code designed for high-performance simulation of large biomolecular systems. Based on Charm++ parallel objects, NAMD scales to hundreds of processors on high-end parallel platforms and tens of processors on commodity clusters using gigabit ethernet. NAMD uses the popular molecular graphics program VMD for simulation setup and trajectory analysis, but is also file-compatible with AMBER, CHARMM,  and X-PLOR.
+<!--Modules-->
 ==Required Modules==
 [[Modules|Modules documentation]]