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From: Mikheil Azatov
Subject: [ESPResSo] VMD
Date: Sat, 5 Jun 2010 15:53:19 -0400


I'm trying to visualize simulation in VMD and have problems connecting it to Espresso. The part of the code that connects to VMD looks like this:( as it was in one of the examples of Espresso)

if { $vmd_output=="yes" } {
    writepsf "$name$ident.psf"
    writepdb "$name$ident.pdb"
    for {set port 10000} { $port < 65000 } { incr port } {
    catch {imd connect $port} res
    if {$res == ""} break
    set HOSTNAME [exec hostname]
    set vmdout_file [open "vmdoutput.script" "w"]
    puts $vmdout_file "mol load psf $name$ident.psf pdb $name$ident.pdb"
    puts $vmdout_file "rotate stop"
    puts $vmdout_file "imd connect $port"
    puts $vmdout_file "mol modstyle 0 0 CPK 1.000000 0.300000 8.000000 6.000000"
    puts $vmdout_file "mol modcolor 0 0 SegName"
    close $vmdout_file
    puts "vmd -e vmdoutput.script &"
    imd listen $vmd_wait
    exec /usr/local/vmd/bin/vmd -e vmdoutput.script &

As a result I get an initial picture of simulation in VMD and an error in terminal.

ERROR) Unable to ascertain relative endianness of remote machine
Unable to connect to host on port 10000

Could you please explain how to correct this error and what i'm doing wrong.


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