From: g srinivasa murthy (g_s_murthyin_at_yahoo.co.in)
Date: Mon Mar 29 2004 - 05:11:49 CST
hello,
I want to calculate the totalforce on
specified
atoms. I try to use loadtotalforces ,but ended up with
the error message.
The script which I used for purpose was:
set atm1 1
set atm2 2
addatom $atm1
addatom $atm2
proc calcforces {} {
global atm1 atm2
loadtotalforces forc
set f1 $forc($atm1)
set f1x [lindex $f1 0]
set f1y [lindex $f1 1]
set f1z [lindex $f1 2]
puts "$f1x \t $f1y \t $f1z"
}
Error message was:
TCL: can't read "forc(1)": no such variable
FATAL ERROR: can't read "forc(1)": no such variable
while executing
"set f1 $forc($atm1)"
(procedure "calcforces" line 20)
invoked from within
"calcforces"
FATAL ERROR: can't read "forc(1)": no such variable
while executing
"set f1 $forc($atm1)"
(procedure "calcforces" line 20)
invoked from within
"calcforces"
regards
srinivasa
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