I am trying to run fist sample code provided in the Espresso User's guide. While running the script I am getting the follwoing errors:
t=0.0 E=23677443409036184.0
unknown interaction type "forcecap"
while executing
"inter forcecap $cap"
("for" body line 3)
invoked from within
"for {set cap 20} {$cap <200} {incr cap 20} {
puts "t=[setmd time] E=[analyze energy total]"
inter forcecap $cap; integrate $integ_steps
}"
(file "first.tcl" line 40)
Please let me know what is wrong in the attached script.