Dear All users
I saved my gor outputs in a file.rdf, I wrote in this file, gors for 1-1 , 2-2
and 1-2 in that file, I used readrdf.m from tools directory(lammps) then run
it, But when I write this typical command : In MATLAB:
rdf = readrdf(‘tmp1.rdf’,‘bin’,100,‘runtime’,[2000000;1000000],‘step’,[100;100],‘ncol’,5,‘final’,‘no’)
Im lammps script:
log npt.log
compute 1 all rdf 10 1 1
compute 2 all rdf 10 2 2
compute 3 all rdf 10 1 2
compute mytemp all temp
compute mypress all pressure mytemp
fix 4 all store/force
fix fxnpt all npt temp 420.0 420.0 1.0 iso 1.0 1.0 10.0
fix 5 all ave/time 100 1 100 c_1 c_2 c_3 file tmp1.rdf mode vector
ERROR IN MATLAB:
??? Index exceeds matrix dimensions.
Error in ==> readrdf at 123
elseif strcmpi(rdf_data(1:11),‘RUN AVERAGE’)