资 源 简 介
BRAHMS is a molecular dynamics program for the simulation of biological membranes modeled with the ELBA coarse-grain force field [Orsi & Essex, PLoS ONE 6: e28637 (2011)].
Please download the latest (current) version here.
The source code, written in the C language, comprises ~10000 lines, organized in ~20 modules. Many crucial components of BRAHMS, such as the main data structures, the cell-subdivision/neighbor-list algorithm, and several useful macro definitions, have been developed following the excellent book "The Art of Molecular Dynamics Simulation" by D.C. Rapaport (Cambridge University Press, 2nd edition).
BRAHMS has been successfully employed to carry out research into biological membranes; more details and references can be found here.
The p
文 件 列 表
BrahmsGPU1-9
definitions.h
topology.c
epp.c
wpp.c
cuPrintf.cuh
stepMain.c
kernel.cu
utils.c
forceNbdES.c
stepInt.c
rdf.c
errCheck.c
Makefile
forceNbdGBLJ.c
forceNbdMain.c
dataStructs.h
main.c
in_namelist.h
sysGen.c
stepCalc.c
in_namelist.c
lpp.c
latDiff.c
brahms.md
nebrList.c
rotation.c
cuPrintf.cu
brahms.top
output.c
edp.c
forceBdMain.c
forceNbdGB.c
checkpts.c
diffusion.c
startUp.c
sysLoad.c
forceNbdLJ.c
