Project ID: plumID:23.001
Source: EnhancedCoexistence/Liq-VI/4-BiasedCoexistence/COEX_7000.0atm/245.0K/plumed.order.dat
Originally used with PLUMED version: 2.8
Stable: zipped raw stdout - zipped raw stderr - stderr
Master: zipped raw stdout - zipped raw stderr - stderr
Click on the labels of the actions for more information on what each action computes
...
=1-3840:3
=0.055
=CUSTOM
=refcvThe ENVIRONMENTSIMILARITY action with label refcv calculates the following quantities: Quantity | Type | Description |
refcv | vector | the value calculated by this action |
refcv_morethan-1 | scalar | the number of colvars that have a value more than a threshold |
refcv_morethan-2 | scalar | the number of colvars that have a value more than a threshold |
refcv_mean | scalar | the mean of the colvars |
=env1.pdb
=env2.pdb
=env3.pdb
=env4.pdb
=env5.pdb
=env6.pdb
=env7.pdb
=env8.pdb
=env9.pdb
=env10.pdb
={CUBIC D_0=0.46 D_MAX=0.9325}
={CUBIC D_0=0.72750 D_MAX=0.72751}
... ENVIRONMENTSIMILARITY
...
=1-3840:3
=0.055
=CUSTOM
=refcv
=env1.pdb
=env2.pdb
=env3.pdb
=env4.pdb
=env5.pdb
=env6.pdb
=env7.pdb
=env8.pdb
=env9.pdb
=env10.pdb
={CUBIC D_0=0.46 D_MAX=0.9325}
={CUBIC D_0=0.72750 D_MAX=0.72751}
=3 =0.0001 =100
... ENVIRONMENTSIMILARITY
# ENVIRONMENTSIMILARITY ...
refcv_cmatThe DISTANCE_MATRIX action with label refcv_cmat calculates the following quantities: Quantity | Type | Description |
refcv_cmat.w | matrix | a matrix containing the weights for the bonds between each pair of atoms |
refcv_cmat.x | matrix | the projection of the bond on the x axis |
refcv_cmat.y | matrix | the projection of the bond on the y axis |
refcv_cmat.z | matrix | the projection of the bond on the z axis |
: =1-3840:3 =0.449045
refcv_grpThe GROUP action with label refcv_grp calculates the following quantities: Quantity | Type | Description |
refcv_grp | atoms | indices of atoms specified in GROUP |
: =1-3840:3
refcv_onesThe CONSTANT action with label refcv_ones calculates the following quantities: Quantity | Type | Description |
refcv_ones | vector | the constant value that was read from the plumed input |
: =1280
refcv_matenv1The CUSTOM action with label refcv_matenv1 calculates the following quantities: Quantity | Type | Description |
refcv_matenv1 | matrix | the matrix obtained by doing an element-wise application of an arbitrary function to the input matrix |
: =refcv_cmat.x,refcv_cmat.y,refcv_cmat.z,refcv_cmat.w =x,y,z,w =NO =(step(w-0.0001)*step(0.449045-w)/4)*(exp(-((x--0.174)^2+(y--0.007)^2+(z--0.221)^2)/(4*0.003025))+exp(-((x-0.002)^2+(y-0.174)^2+(z-0.22)^2)/(4*0.003025))+exp(-((x-0.175)^2+(y--0.009)^2+(z--0.216)^2)/(4*0.003025))+exp(-((x-0.005)^2+(y--0.1814)^2+(z-0.214)^2)/(4*0.003025
refcv_env1The MATRIX_VECTOR_PRODUCT action with label refcv_env1 calculates the following quantities: Quantity | Type | Description |
refcv_env1 | vector | the vector that is obtained by taking the product between the matrix and the vector that were input |
: =refcv_matenv1,refcv_ones
refcv_matenv2The CUSTOM action with label refcv_matenv2 calculates the following quantities: Quantity | Type | Description |
refcv_matenv2 | matrix | the matrix obtained by doing an element-wise application of an arbitrary function to the input matrix |
: =refcv_cmat.x,refcv_cmat.y,refcv_cmat.z,refcv_cmat.w =x,y,z,w =NO =(step(w-0.0001)*step(0.449045-w)/4)*(exp(-((x--0.27)^2+(y-0.007)^2+(z-0.005)^2)/(4*0.003025))+exp(-((x-0.179)^2+(y-0.173)^2+(z--0.125)^2)/(4*0.003025))+exp(-((x-0.174)^2+(y-0.007)^2+(z-0.221)^2)/(4*0.003025))+exp(-((x-0.179)^2+(y--0.1744)^2+(z--0.135)^2)/(4*0.003025
refcv_env2The MATRIX_VECTOR_PRODUCT action with label refcv_env2 calculates the following quantities: Quantity | Type | Description |
refcv_env2 | vector | the vector that is obtained by taking the product between the matrix and the vector that were input |
: =refcv_matenv2,refcv_ones
refcv_matenv3The CUSTOM action with label refcv_matenv3 calculates the following quantities: Quantity | Type | Description |
refcv_matenv3 | matrix | the matrix obtained by doing an element-wise application of an arbitrary function to the input matrix |
: =refcv_cmat.x,refcv_cmat.y,refcv_cmat.z,refcv_cmat.w =x,y,z,w =NO =(step(w-0.0001)*step(0.449045-w)/4)*(exp(-((x--0.27)^2+(y-0.008)^2+(z--0.005)^2)/(4*0.003025))+exp(-((x-0.173)^2+(y-0.008)^2+(z--0.22)^2)/(4*0.003025))+exp(-((x-0.182)^2+(y--0.167)^2+(z-0.135)^2)/(4*0.003025))+exp(-((x-0.175)^2+(y-0.181)^2+(z-0.13)^2)/(4*0.003025
refcv_env3The MATRIX_VECTOR_PRODUCT action with label refcv_env3 calculates the following quantities: Quantity | Type | Description |
refcv_env3 | vector | the vector that is obtained by taking the product between the matrix and the vector that were input |
: =refcv_matenv3,refcv_ones
refcv_matenv4The CUSTOM action with label refcv_matenv4 calculates the following quantities: Quantity | Type | Description |
refcv_matenv4 | matrix | the matrix obtained by doing an element-wise application of an arbitrary function to the input matrix |
: =refcv_cmat.x,refcv_cmat.y,refcv_cmat.z,refcv_cmat.w =x,y,z,w =NO =(step(w-0.0001)*step(0.449045-w)/4)*(exp(-((x--0.175)^2+(y--0.009)^2+(z--0.215)^2)/(4*0.003025))+exp(-((x--0.17)^2+(y--0.175)^2+(z-0.13)^2)/(4*0.003025))+exp(-((x--0.17)^2+(y-0.173)^2+(z-0.14)^2)/(4*0.003025))+exp(-((x-0.27)^2+(y--0.008)^2+(z-0.005)^2)/(4*0.003025
refcv_env4The MATRIX_VECTOR_PRODUCT action with label refcv_env4 calculates the following quantities: Quantity | Type | Description |
refcv_env4 | vector | the vector that is obtained by taking the product between the matrix and the vector that were input |
: =refcv_matenv4,refcv_ones
refcv_matenv5The CUSTOM action with label refcv_matenv5 calculates the following quantities: Quantity | Type | Description |
refcv_matenv5 | matrix | the matrix obtained by doing an element-wise application of an arbitrary function to the input matrix |
: =refcv_cmat.x,refcv_cmat.y,refcv_cmat.z,refcv_cmat.w =x,y,z,w =NO =(step(w-0.0001)*step(0.449045-w)/4)*(exp(-((x-0.002)^2+(y--0.27)^2+(z-0.005)^2)/(4*0.003025))+exp(-((x-0.004)^2+(y-0.166)^2+(z-0.224)^2)/(4*0.003025))+exp(-((x-0.17)^2+(y-0.175)^2+(z--0.13)^2)/(4*0.003025))+exp(-((x--0.1784)^2+(y-0.173)^2+(z--0.125)^2)/(4*0.003025
refcv_env5The MATRIX_VECTOR_PRODUCT action with label refcv_env5 calculates the following quantities: Quantity | Type | Description |
refcv_env5 | vector | the vector that is obtained by taking the product between the matrix and the vector that were input |
: =refcv_matenv5,refcv_ones
refcv_matenv6The CUSTOM action with label refcv_matenv6 calculates the following quantities: Quantity | Type | Description |
refcv_matenv6 | matrix | the matrix obtained by doing an element-wise application of an arbitrary function to the input matrix |
: =refcv_cmat.x,refcv_cmat.y,refcv_cmat.z,refcv_cmat.w =x,y,z,w =NO =(step(w-0.0001)*step(0.449045-w)/4)*(exp(-((x-0.27)^2+(y--0.007)^2+(z--0.005)^2)/(4*0.003025))+exp(-((x--0.1734)^2+(y-0)^2+(z-0.216)^2)/(4*0.003025))+exp(-((x--0.1734)^2+(y-0.166)^2+(z--0.139)^2)/(4*0.003025))+exp(-((x--0.1644)^2+(y--0.1734)^2+(z--0.139)^2)/(4*0.003025
refcv_env6The MATRIX_VECTOR_PRODUCT action with label refcv_env6 calculates the following quantities: Quantity | Type | Description |
refcv_env6 | vector | the vector that is obtained by taking the product between the matrix and the vector that were input |
: =refcv_matenv6,refcv_ones
refcv_matenv7The CUSTOM action with label refcv_matenv7 calculates the following quantities: Quantity | Type | Description |
refcv_matenv7 | matrix | the matrix obtained by doing an element-wise application of an arbitrary function to the input matrix |
: =refcv_cmat.x,refcv_cmat.y,refcv_cmat.z,refcv_cmat.w =x,y,z,w =NO =(step(w-0.0001)*step(0.449045-w)/4)*(exp(-((x-0.003)^2+(y-0.27)^2+(z--0.004)^2)/(4*0.003025))+exp(-((x-0.17)^2+(y--0.175)^2+(z-0.13)^2)/(4*0.003025))+exp(-((x--0.179)^2+(y--0.173)^2+(z-0.125)^2)/(4*0.003025))+exp(-((x-0.004)^2+(y--0.166)^2+(z--0.2242)^2)/(4*0.003025
refcv_env7The MATRIX_VECTOR_PRODUCT action with label refcv_env7 calculates the following quantities: Quantity | Type | Description |
refcv_env7 | vector | the vector that is obtained by taking the product between the matrix and the vector that were input |
: =refcv_matenv7,refcv_ones
refcv_matenv8The CUSTOM action with label refcv_matenv8 calculates the following quantities: Quantity | Type | Description |
refcv_matenv8 | matrix | the matrix obtained by doing an element-wise application of an arbitrary function to the input matrix |
: =refcv_cmat.x,refcv_cmat.y,refcv_cmat.z,refcv_cmat.w =x,y,z,w =NO =(step(w-0.0001)*step(0.449045-w)/4)*(exp(-((x-0.175)^2+(y-0.009)^2+(z-0.215)^2)/(4*0.003025))+exp(-((x--0.1734)^2+(y-0.007)^2+(z-0.22)^2)/(4*0.003025))+exp(-((x-0.002)^2+(y--0.175)^2+(z--0.2202)^2)/(4*0.003025))+exp(-((x-0.009)^2+(y-0.174)^2+(z--0.2152)^2)/(4*0.003025
refcv_env8The MATRIX_VECTOR_PRODUCT action with label refcv_env8 calculates the following quantities: Quantity | Type | Description |
refcv_env8 | vector | the vector that is obtained by taking the product between the matrix and the vector that were input |
: =refcv_matenv8,refcv_ones
refcv_matenv9The CUSTOM action with label refcv_matenv9 calculates the following quantities: Quantity | Type | Description |
refcv_matenv9 | matrix | the matrix obtained by doing an element-wise application of an arbitrary function to the input matrix |
: =refcv_cmat.x,refcv_cmat.y,refcv_cmat.z,refcv_cmat.w =x,y,z,w =NO =(step(w-0.0001)*step(0.449045-w)/4)*(exp(-((x--0.173)^2+(y-0.173)^2+(z-0.134)^2)/(4*0.003025))+exp(-((x-0.175)^2+(y-0.181)^2+(z-0.129)^2)/(4*0.003025))+exp(-((x--0.003)^2+(y--0.27)^2+(z-0.004)^2)/(4*0.003025))+exp(-((x-0.001)^2+(y-0.173)^2+(z--0.2202)^2)/(4*0.003025
refcv_env9The MATRIX_VECTOR_PRODUCT action with label refcv_env9 calculates the following quantities: Quantity | Type | Description |
refcv_env9 | vector | the vector that is obtained by taking the product between the matrix and the vector that were input |
: =refcv_matenv9,refcv_ones
refcv_matenv10The CUSTOM action with label refcv_matenv10 calculates the following quantities: Quantity | Type | Description |
refcv_matenv10 | matrix | the matrix obtained by doing an element-wise application of an arbitrary function to the input matrix |
: =refcv_cmat.x,refcv_cmat.y,refcv_cmat.z,refcv_cmat.w =x,y,z,w =NO =(step(w-0.0001)*step(0.449045-w)/4)*(exp(-((x--0.002)^2+(y-0.27)^2+(z--0.005)^2)/(4*0.003025))+exp(-((x-0.176)^2+(y--0.1804)^2+(z--0.13)^2)/(4*0.003025))+exp(-((x--0.1804)^2+(y--0.1754)^2+(z--0.13)^2)/(4*0.003025))+exp(-((x--0.007)^2+(y--0.1734)^2+(z-0.219)^2)/(4*0.003025
refcv_env10The MATRIX_VECTOR_PRODUCT action with label refcv_env10 calculates the following quantities: Quantity | Type | Description |
refcv_env10 | vector | the vector that is obtained by taking the product between the matrix and the vector that were input |
: =refcv_matenv10,refcv_ones
refcvThe CUSTOM action with label refcv calculates the following quantities: Quantity | Type | Description |
refcv | vector | the vector obtained by doing an element-wise application of an arbitrary function to the input vectors |
: =refcv_env1,refcv_env2,refcv_env3,refcv_env4,refcv_env5,refcv_env6,refcv_env7,refcv_env8,refcv_env9,refcv_env10 =NO =v1,v2,v3,v4,v5,v6,v7,v8,v9,v10 =(1/100)*log(exp(100*v1)+exp(100*v2)+exp(100*v3)+exp(100*v4)+exp(100*v5)+exp(100*v6)+exp(100*v7)+exp(100*v8)+exp(100*v9)+exp(100*v10
refcv_mt1The MORE_THAN action with label refcv_mt1 calculates the following quantities: Quantity | Type | Description |
refcv_mt1 | vector | the vector obtained by doing an element-wise application of a function that is one if the if the input is more than a threshold to the input vectors |
: =refcv ={CUBIC D_0=0.46 D_MAX=0.9325}
refcv_morethan-1The SUM action with label refcv_morethan-1 calculates the following quantities: Quantity | Type | Description |
refcv_morethan-1 | scalar | the sum of all the elements in the input vector |
: =refcv_mt1 =NO
refcv_mt2The MORE_THAN action with label refcv_mt2 calculates the following quantities: Quantity | Type | Description |
refcv_mt2 | vector | the vector obtained by doing an element-wise application of a function that is one if the if the input is more than a threshold to the input vectors |
: =refcv ={CUBIC D_0=0.72750 D_MAX=0.72751}
refcv_morethan-2The SUM action with label refcv_morethan-2 calculates the following quantities: Quantity | Type | Description |
refcv_morethan-2 | scalar | the sum of all the elements in the input vector |
: =refcv_mt2 =NO
refcv_meanThe MEAN action with label refcv_mean calculates the following quantities: Quantity | Type | Description |
refcv_mean | scalar | the mean of all the elements in the input vector |
: =refcv =NO
# --- End of included input ---