Hey everyone I have been trying to run this in my input script:
The simulation consists of a polymer containing 400 atoms. I am trying to print the coordinates of the 50th atom to output with the fix print command
compute tr poly property/atom x y z
variable x50 equal c_tr[50][1]
variable y50 equal c_tr[50][2]
variable z50 equal c_tr[50][3]
fix tr1 poly print 1000 "${x50} ${y50} ${z50}" append xyz_50.txt screen no
However this portion of the code always returns this error when executing:
Is there a way to bypass this? I am able to print compute values stored in other variables in the input script but it always fails for the compute property/atom command