From: supram_at_nankai.edu.cn
Date: Thu Feb 05 2009 - 06:26:11 CST
Dear namd users,
Can some tell me what the matter with my programe?
The output was as follows:
TCL: divide by zero
FATAL ERROR: divide by zero
while executing
"expr {$term / $sum}"
(procedure "vecnorm" line 5)
invoked from within
"vecnorm [veccross $vecd $u"
("cyl" arm line 10)
invoked from within
"switch $type {
"dist" {
# Apply a harmonic restraint to a distance
foreach { a1 a2 } $atoms($r) {}
set k [lindex $rArray($r) 3]
set r..."
("foreach" body line 4)
invoked from within
"foreach r [ array names atoms ] {
set type [ lindex $rArray($r) 0 ]
switch $type {
"dist" {
# Apply a harmonic restraint to a distance
..."
(in namespace eval "::ABF" script line 6)
invoked from within
"namespace eval ABF {
loadcoords coords
# Loop on requested restraints
foreach r [ array names atoms ] {
set type [ lindex $rArray($..."
(procedure "restraints" line 2)
invoked from within
"restraints "
(in namespace eval "::ABF" script line 14)
invoked from within
"namespace eval ::ABF {
# First timestep : we don't have forces
if { $timestep == 0 } {
# must not be equal to $timestep - 1
set timeStored -2
..."
(procedure "calcforces" line 2)
invoked from within
"calcforces"
z{Sʗ{٥r
z{S}ĝxjǺ<P>Dear namd users,<BR><BR> Can some tell me what the matter with my programe?<BR> The output was as follows:<BR><BR> TCL: divide by zero<BR>FATAL ERROR: divide by zero<BR> while executing<BR>"expr {$term / $sum}"<BR> (procedure "vecnorm" line 5)<BR> invoked from within<BR>"vecnorm [veccross $vecd $u"<BR> ("cyl" arm line 10)<BR> invoked from within<BR>"switch $type {<BR> "dist" {<BR># Apply a harmonic restraint to a distance</P>
<P> foreach { a1 a2 } $atoms($r) {}<BR> set k [lindex $rArray($r) 3]<BR> set r..."<BR> ("foreach" body line 4)<BR> invoked from within<BR>"foreach r [ array names atoms ] {</P>
<P> set type [ lindex $rArray($r) 0 ]<BR> switch $type {<BR> "dist" {<BR># Apply a harmonic restraint to a distance</P>
<P> ..."<BR> (in namespace eval "::ABF" script line 6)<BR> invoked from within<BR>"namespace eval ABF {</P>
<P> loadcoords coords</P>
<P> # Loop on requested restraints<BR> foreach r [ array names atoms ] {</P>
<P> set type [ lindex $rArray($..."<BR> (procedure "restraints" line 2)<BR> invoked from within<BR>"restraints "<BR> (in namespace eval "::ABF" script line 14)<BR> invoked from within<BR>"namespace eval ::ABF {</P>
<P># First timestep : we don't have forces<BR>if { $timestep == 0 } {</P>
<P> # must not be equal to $timestep - 1<BR> set timeStored -2<BR> ..."<BR> (procedure "calcforces" line 2)<BR> invoked from within<BR>"calcforces"</P>
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