VMD-L Mailing List

From: Wei Chen (cwbluesky_at_gmail.com)
Date: Tue May 04 2010 - 17:07:54 CDT

Hi all,

I try to load a series of pdb files, which were extracted from a trajectory.
In order to save memory, I load one at a time and delete it using "animate
delete all" before loading the second one. It indeed saved some memory, but
the memory usage still keeped increasing when I loaded hundreds pdb files.
Could anybody tell me what is wrong? Is it because other information than
coordinates from pdb files is not deleted when using "animate delete all"?

My script is as follows:

*************************************************************
set start 0
set end 499
set stride 10
set fileformat "%06d0.00ps.pdb"

for {set i $start} {$i <= $end} {incr i 1} {
   set filename [format $fileformat [expr $i]]
   if {$i == $start} {
          set molid [mol new $filename type pdb waitfor all]
          puts "molid = $molid"
   } else {
       animate read pdb $filename waitfor all $molid
   }

   animate delete all
   puts "delete $filename"

}

quit
************************************************************

Thank you!

Wei Chen