Hi
I want to incorporate a stern layer on the sensor, in the example of 1PGB, I’m using the next setting in the .config file but I’m doing something wrong because the calculation cannot start. Could you tell me please what Iḿ doing wrong. Also the organization of the layer is a little confuse for me
PARAM LorY pot? Dielec kappa charges? coulomb? charge_file Nparent parent Nchild children
FIELD 1 0 80 1e-12 0 0 NA 0 NA 4 0 1 2 3
FIELD 1 1 80 1e-12 0 0 NA 1 0 1 1
FIELD 1 1 4 1e-12 1 1 1PGB_mut.pqr 1 1 0 NA
FIELD NA 1 NA NA 0 0 NA 1 2 1 3
FIELD NA 1 NA NA 0 0 NA 1 3 0 NA
Hi I want to incorporate a stern layer on the sensor, in the example of 1PGB, I’m using the next setting in the .config file but I’m doing something wrong because the calculation cannot start. Could you tell me please what Iḿ doing wrong. Also the organization of the layer is a little confuse for me
FILE geometry/1PGB_mut_p1.5_d02_stern stern_layer FILE geometry/1PGB_mut_p1.5_d02 dielectric_interface FILE geometry/sensor_254x254x14_d08_stern stern_layer FILE geometry/sensor_250x250x10_d08 dirichlet_surface sensor_254x254x14d08-4e-05-4e-05-4e-05-4e-05-4e-05-4e-05.phi0
PARAM LorY pot? Dielec kappa charges? coulomb? charge_file Nparent parent Nchild children FIELD 1 0 80 1e-12 0 0 NA 0 NA 4 0 1 2 3 FIELD 1 1 80 1e-12 0 0 NA 1 0 1 1 FIELD 1 1 4 1e-12 1 1 1PGB_mut.pqr 1 1 0 NA FIELD NA 1 NA NA 0 0 NA 1 2 1 3 FIELD NA 1 NA NA 0 0 NA 1 3 0 NA
Regards