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6 Commits
LICENSE
LICENSE
 
 
README.MD
README.MD
 
 
beadIndex.cpp
beadIndex.cpp
 
 
bondHarm.cpp
bondHarm.cpp
 
 
fljp.cpp
fljp.cpp
 
 
forcecellmp.cpp
forcecellmp.cpp
 
 
gausranlang.cpp
gausranlang.cpp
 
 
gauss.cpp
gauss.cpp
 
 
gdist.cpp
gdist.cpp
 
 
gencell.cpp
gencell.cpp
 
 
grs.cpp
grs.cpp
 
 
icrd.dat
icrd.dat
 
 
inCnfPoly.cpp
inCnfPoly.cpp
 
 
inp.dat
inp.dat
 
 
interactions.h
interactions.h
 
 
iseed.cpp
iseed.cpp
 
 
ke.cpp
ke.cpp
 
 
krishna
krishna
 
 
langvin_dyn.cpp
langvin_dyn.cpp
 
 
mv_vvlt_ld.cpp
mv_vvlt_ld.cpp
 
 
nnb.cpp
nnb.cpp
 
 
nrc_gauss.cpp
nrc_gauss.cpp
 
 
pbcPolyCheck.cpp
pbcPolyCheck.cpp
 
 
plt3dPoly.py
plt3dPoly.py
 
 
ran3.cpp
ran3.cpp
 
 
removeRecreateTrj.cpp
removeRecreateTrj.cpp
 
 
resEqSim.cpp
resEqSim.cpp
 
 
seed.dat
seed.dat
 
 
simparin.cpp
simparin.cpp
 
 
state.sim
state.sim
 
 
system.dat
system.dat
 
 
trjrst.cpp
trjrst.cpp
 
 
veldistb.cpp
veldistb.cpp
 
 
volFracBeads.cpp
volFracBeads.cpp
 
 
wrdata.cpp
wrdata.cpp
 
 

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A C++ code for the coarse-grained sticker spacer beads bonded harmonically as linear polymer chains. The coarse-graining is performed at the residue level where each bead represents an amino acid of a given diameter. The system units are used as Lennard-Jones, given in "Computer Simulation of Liquids" by M. P. Allen and D. J. Tildesley, Oxford University Press (1987).

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Coarse-grained sticker spacer model of proteins

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protein-protein-interaction protein-dynamics

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GPL-3.0 license
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