help whit distance restraint

From: Leonardo Herrera (ldhz04_at_yahoo.com.mx)
Date: Wed Jun 02 2010 - 17:37:57 CDT

Hi somebody
Can anybody help me?
I added a harminic restraint on two atoms three times in one tclforcesscript  in my protein during simulation. But I have an error when I am running my simulation. the error is:

------------- Processor 0 Exiting: Called CmiAbort ------------
Reason: FATAL ERROR: wrong # args
    while executing
"et retval {}"
    (procedure "vecnorm" line 7)
    invoked from within
"vecnorm $r12"
    (procedure "calcforces" line 13)
    invoked from within
"calcforces"

Charm++ fatal error:
FATAL ERROR: wrong # args
    while executing
"et retval {}"
    (procedure "vecnorm" line 7)
    invoked from within
"vecnorm $r12"
    (procedure "calcforces" line 13)
    invoked from within
"calcforces"

and my tclscript is

set k 100.00
set r0 2.15

set count 0

set atoms1($count) 983
set atoms2($count) 9232

incr count

set atoms1($count) 1626
set atoms2($count) 9232

incr count

set atoms1($count) 6794
set atoms2($count) 9232

incr count

for {set i 0} {$i < $count} {incr i} {

        addatom $atoms1($i)
        addatom $atoms2($i)
}

print "tclfprces action"

proc calcforces {} {

        global k r0 atoms1 atoms2 count

        loadcoords p

        for {set j 0} {$j < $count} {incr j} {

                set r12 [vecsub $p($atoms1($j)) $p($atoms2($j))]

                set r [veclength $r12]

                set n0 [vecnorm $r12]

                set force [expr $k*($r-$r0)]

                set f1 [vecscale $force $n0]

                set f2 [vecscale -$force $n0]

                addforce $atoms1($j) $f1
                addforce $atoms2($j) $f2
        }
}

# Ther is a definition of subroutine veclenght and vecnorm
# Returns: the vector length

proc veclength {v} {
 set retval 0
 foreach term $v {
         set retval [expr $retval + $term * $term ]
                 }
 return [expr sqrt($retval)]
}

# Returns: the normal vector
proc vecnorm {v} {
 set sum 0
 foreach term $v {
         set sum [expr $sum + $term*$term]
                 }
 set sum [expr sqrt($sum)]
et retval {}
 foreach term $v {
         lappend retval [expr $term / $sum]
                 }
 return $retval
}

thanks in advance

MenB Leonardo David Herrera Zúñiga  POSGRADO EN QUÍMICA  UAMI Biofisicoquímica Universidad Autonoma Metropolitana IztapalapaTel. +52 (55) 5804 4674    ldhz04_at_yahoo.com.mx

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