VMD-L Mailing List

From: Chang, Christopher (Christopher_Chang_at_nrel.gov)
Date: Wed Nov 16 2005 - 13:11:30 CST

Hi,

   I am extracting an atom selection from very large DCD files, and
would like to script something that will use a loop to read a frame,
then append the atomselection to a new DCD file to lower memory demands.
Can "animate write" do this? Right now the command

animate write dcd outname.dcd beg $a end $a waitfor all sel $selection
top

in the loop with counter "a" and atomselection "$selection" overwrites
each (a-1)th structure with the (a)th one.

Thanks,

Chris