Hello everbody,
I want to compute and plot the sum of all contacts between atoms over time:
=============================================
compute nconts all contact/atom/gran
run 0
variable totcont equal sum(c_nconts)
variable t equal step*dt
fix out1 all print 10 "$t,${totcont}" file cont.csv title "time,totcont" screen no
run 1000000
=============================================
But I am constantly getting an error
ERROR: Mismatched compute in variable formula (../variable.cpp:3222)
I am not sure why the sum or the use of c_nconts here is not allowed. Any suggestions or ideas?
Thanks in advance