Tcl: loadtotalforces

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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