Project ID: plumID:20.031
Source: nanoshuttle_simulations/m04/plumed.dat
Originally used with PLUMED version: 2.7
Stable: raw zipped stdout - stderr
Master: raw zipped stdout - stderr

#m04
#RESTART

WHOLEMOLECULES STRIDE=1 ENTITY0=1-3342 ENTITY1=3343-5699 ENTITY2=5700-8056 ENTITY3=8057-10413 ENTITY4=10414-12770 ENTITY5=12771-15127 ENTITY6=15128-17484 ENTITY7=17485-19841 ENTITY8=19842-22198 ENTITY9=22199-24555

c1: CENTER ATOMS=2602,2600,2599,2605,2604
c2: CENTER ATOMS=5128,5127,5138,5133,5131,5130
#d1: DISTANCE ATOMS=c1,c2

c3: CENTER ATOMS=2604,2605,2606,2608,2612,2610
c4: CENTER ATOMS=5133,5138,5137,5136,5135,5134
#d2: DISTANCE ATOMS=c3,c4

c5: CENTER ATOMS=2602,2600,2599,2605,2604
c6: CENTER ATOMS=22601,22603,22604,22606,22611,22600
#d3: DISTANCE ATOMS=c5,c6
#
c7: CENTER ATOMS=2604,2605,2606,2608,2612,2610
c8: CENTER ATOMS=22611,22606,22607,22608,22609,22610
#d1: DISTANCE ATOMS=c7,c8


t1: COORDINATION GROUPA=1182,1183,1183,1182,2654,2654,1527,2056,1182,1183,1183,1182,2654,2654,1527,2056 GROUPB=5127,5127,5129,5129,5130,5132,5132,5134,22600,22600,22602,22602,22603,22605,22605,22607 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