metadynamic and well-tempered metadynamics

well tempered mtd
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# CPMD units are a.u.: energy = hartree, distance = bohr, time = 0.024 fs
HILLS  HEIGHT 0.00009 W_STRIDE 50
WELLTEMPERED SIMTEMP 300 BIASFACTOR 10
PRINT W_STRIDE 20

g1->
1 2 3 4 5 6 8 9 10 11 12
g1<- p="">
POSITION LIST SIGMA 0.35 DIR Z

ENDMETA

MTD

-------------------------------------------------------------------

# CPMD units are a.u.: energy = hartree, distance = bohr, time = 0.024 fs

HILLS RESTART HEIGHT 0.009 W_STRIDE 300

PRINT W_STRIDE 20

all->

 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27

all<- div="">

SPRINT LIST NN 6 MM 12 R_0 10  5.0 5.0 5.0 4.2 5.0 5.0 4.2 5.0 4.2 4.2 INDEX 1 SIGMA 1.5

SPRINT LIST NN 6 MM 12 R_0 10  5.0 5.0 5.0 4.2 5.0 5.0 4.2 5.0 4.2 4.2 INDEX 2 SIGMA 1.5

SPRINT LIST NN 6 MM 12 R_0 10  5.0 5.0 5.0 4.2 5.0 5.0 4.2 5.0 4.2 4.2 INDEX 3 SIGMA 1.5

SPRINT LIST NN 6 MM 12 R_0 10  5.0 5.0 5.0 4.2 5.0 5.0 4.2 5.0 4.2 4.2 INDEX 4 SIGMA 1.5

SPRINT LIST NN 6 MM 12 R_0 10  5.0 5.0 5.0 4.2 5.0 5.0 4.2 5.0 4.2 4.2 INDEX 5 SIGMA 1.5

SPRINT LIST NN 6 MM 12 R_0 10  5.0 5.0 5.0 4.2 5.0 5.0 4.2 5.0 4.2 4.2 INDEX 6 SIGMA 1.5

SPRINT LIST NN 6 MM 12 R_0 10  5.0 5.0 5.0 4.2 5.0 5.0 4.2 5.0 4.2 4.2 INDEX 7 SIGMA 1.5

SPRINT LIST NN 6 MM 12 R_0 10  5.0 5.0 5.0 4.2 5.0 5.0 4.2 5.0 4.2 4.2 INDEX 8 SIGMA 1.5

SPRINT LIST NN 6 MM 12 R_0 10  5.0 5.0 5.0 4.2 5.0 5.0 4.2 5.0 4.2 4.2 INDEX 9 SIGMA 1.5

SPRINT LIST NN 6 MM 12 R_0 10  5.0 5.0 5.0 4.2 5.0 5.0 4.2 5.0 4.2 4.2 INDEX 10 SIGMA 1.5

SPRINT LIST NN 6 MM 12 R_0 10  5.0 5.0 5.0 4.2 5.0 5.0 4.2 5.0 4.2 4.2 INDEX 11 SIGMA 1.5

SPRINT LIST NN 6 MM 12 R_0 10  5.0 5.0 5.0 4.2 5.0 5.0 4.2 5.0 4.2 4.2 INDEX 12 SIGMA 1.5

SPRINT LIST NN 6 MM 12 R_0 10  5.0 5.0 5.0 4.2 5.0 5.0 4.2 5.0 4.2 4.2 INDEX 13 SIGMA 1.5

SPRINT LIST NN 6 MM 12 R_0 10  5.0 5.0 5.0 4.2 5.0 5.0 4.2 5.0 4.2 4.2 INDEX 14 SIGMA 1.5

SPRINT LIST NN 6 MM 12 R_0 10  5.0 5.0 5.0 4.2 5.0 5.0 4.2 5.0 4.2 4.2 INDEX 15 SIGMA 1.5

SPRINT LIST NN 6 MM 12 R_0 10  5.0 5.0 5.0 4.2 5.0 5.0 4.2 5.0 4.2 4.2 INDEX 16 SIGMA 1.5

SPRINT LIST NN 6 MM 12 R_0 10  5.0 5.0 5.0 4.2 5.0 5.0 4.2 5.0 4.2 4.2 INDEX 17 SIGMA 1.5

SPRINT LIST NN 6 MM 12 R_0 10  5.0 5.0 5.0 4.2 5.0 5.0 4.2 5.0 4.2 4.2 INDEX 18 SIGMA 1.5

SPRINT LIST NN 6 MM 12 R_0 10  5.0 5.0 5.0 4.2 5.0 5.0 4.2 5.0 4.2 4.2 INDEX 19 SIGMA 1.5

SPRINT LIST NN 6 MM 12 R_0 10  5.0 5.0 5.0 4.2 5.0 5.0 4.2 5.0 4.2 4.2 INDEX 20 SIGMA 1.5

SPRINT LIST NN 6 MM 12 R_0 10  5.0 5.0 5.0 4.2 5.0 5.0 4.2 5.0 4.2 4.2 INDEX 21 SIGMA 1.5

SPRINT LIST NN 6 MM 12 R_0 10  5.0 5.0 5.0 4.2 5.0 5.0 4.2 5.0 4.2 4.2 INDEX 22 SIGMA 1.5

SPRINT LIST NN 6 MM 12 R_0 10  5.0 5.0 5.0 4.2 5.0 5.0 4.2 5.0 4.2 4.2 INDEX 23 SIGMA 1.5

SPRINT LIST NN 6 MM 12 R_0 10  5.0 5.0 5.0 4.2 5.0 5.0 4.2 5.0 4.2 4.2 INDEX 24 SIGMA 1.5

SPRINT LIST NN 6 MM 12 R_0 10  5.0 5.0 5.0 4.2 5.0 5.0 4.2 5.0 4.2 4.2 INDEX 25 SIGMA 1.5

SPRINT LIST NN 6 MM 12 R_0 10  5.0 5.0 5.0 4.2 5.0 5.0 4.2 5.0 4.2 4.2 INDEX 26 SIGMA 1.5

SPRINT LIST NN 6 MM 12 R_0 10  5.0 5.0 5.0 4.2 5.0 5.0 4.2 5.0 4.2 4.2 INDEX 27 SIGMA 1.5

RGYR LIST SIGMA 1.5

NOHILLS CV 28

UWALL CV 28 LIMIT 8.00 KAPPA 0.5 EXP 2

ENDMETA