I have executed the code below.
set vmd_output "yes"
set ident "patch"
set n_sphere 1
set patch 3
set density 0.001
set n_part [expr $n_sphere+$patch]
set volume [expr $n_part/$density]
set box_l [expr pow($volume,1.0/3.0)]
setmd box_l $box_l $box_l $box_l
setmd periodic 1 1 1
for { set j 0 } { $j < $n_sphere } {incr j } {
set type 1
inter 1 1 lennard-jones 1.0 25.0 1.12246 0.25 0.0
set posx [expr $box_l*[t_random]]
set posy [expr $box_l*[t_random]]
set posz [expr $box_l*[t_random]]
set vx [gauss_random]
set vy [gauss_random]
set vz [gauss_random]
part $j pos $posx $posy $posz v $vx $vy $vz type $type
}
for { set k 1 } { $k < $n_part } { incr k } {
set type 2
inter 2 2 lennard-jones 22.5 10.0 1.10246 0.25 0.0
#inter 1 2 gay-berne 4.0 18.0 3 5 2
set posx [expr $box_l*[t_random]]
set posy [expr $box_l*[t_random]]
set posz [expr $box_l*[t_random]]
set vx [gauss_random]
set vy [gauss_random]
set vz [gauss_random]
part $k pos $posx $posy $posz type $type
#part [expr $k+1 ] pos $posx $posy $posz type $type
}
inter 1 fene 35.0 5.0
inter 2 fene 50.0 1.0
inter 3 angle 1.0 [expr [PI]/2]
part 0 bond 3 1 2
inter 4 angle 1.0 [PI]
part 0 bond 4 1 3
part 0 bond 1 1
part 0 bond 2 2
part 0 bond 2 3
#part 0 bond 2 4
if {$vmd_output=="yes"} {
prepare_vmd_connection "vmd"
imd listen 10000
}
if {$vmd_output=="yes"} {imd positions}
"This shows an error below after executing
unknown or ambiguous subcommand "address@hidden": must be args, body, class, cmdcount, commands, complete, coroutine, default, errorstack, exists, frame, functions, globals, hostname, level, library, loaded, locals, nameofexecutable, object, patchlevel, procs, script, sharedlibextension, tclversion, or vars
while executing
"info address@hidden"
(procedure "prepare_vmd_connection" line 6)
invoked from within
"prepare_vmd_connection "vmd""
invoked from within
"if {$vmd_output=="yes"} {
prepare_vmd_connection "vmd"
imd listen 10000
}"
Is it the problem with VMD part in the code? How to get rid of this error..
Thank You
With Kind Regards
Uday
PhD student
Chemistry Department
BITS Goa
India