Project ID: plumID:20.031
Source: nanoshuttle_simulations/m08/plumed.dat
Originally used with PLUMED version: 2.7
Stable: raw zipped stdout - stderr
Master: raw zipped stdout - stderr

#m08
#RESTART

WHOLEMOLECULES STRIDE=1 ENTITY0=1-3342 ENTITY1=3343-5783 ENTITY2=5784-8224 ENTITY3=8225-10665 ENTITY4=10666-13106 ENTITY5=13107-15547 ENTITY6=15548-17988 ENTITY7=17989-20429 ENTITY8=20430-22870 ENTITY9=22871-25311

c1: CENTER ATOMS=2602,2600,2599,2605,2604
c2: CENTER ATOMS=6223,6222,6221,6220,6219,6224
#d1: DISTANCE ATOMS=c1,c2

c3: CENTER ATOMS=2604,2605,2606,2608,2612,2610
c4: CENTER ATOMS=6216,6214,6213,6224,6219,6217
#d2: DISTANCE ATOMS=c3,c4

c5: CENTER ATOMS=2602,2600,2599,2605,2604
c6: CENTER ATOMS=14948,14950,14951,14953,14958,14947
#d3: DISTANCE ATOMS=c5,c6
#
c7: CENTER ATOMS=2604,2605,2606,2608,2612,2610
c8: CENTER ATOMS=14958,14953,14954,14955,14956,14957
#d1: DISTANCE ATOMS=c7,c8


t1: COORDINATION GROUPA=1182,1183,1183,1182,2654,2654,1588,1527,2056,1182,1183,1183,1182,2654,2654,1588,1527,2056 GROUPB=6213,6213,6215,6215,6216,6218,6218,6218,6220,14947,14947,14949,14949,14950,14952,14952,14952,14954 R_0=0.50 PAIR
t3: COORDINATION GROUPA=c1,c3,c5,c7  GROUPB=c2,c4,c6,c8 R_0=0.60 PAIR

PBMETAD ...
LABEL=pb ARG=t1,t3 SIGMA=0.35,0.35 HEIGHT=1.2 PACE=500 FILE=HILLS_t1,HILLS_t3 BIASFACTOR=25 TEMP=300
WALKERS_N=6
WALKERS_ID=0
WALKERS_DIR=../
WALKERS_RSTRIDE=500
... PBMETAD
PRINT ARG=t1,t3,pb.bias  STRIDE=500   FILE=COLVAR