VMD-L Mailing List

From: Philipp Schoen1 (SCH_at_zurich.ibm.com)
Date: Wed Jun 13 2007 - 08:28:30 CDT

dear vmd-users,
i want to read the latest frame, i.e. the newest positions of my atoms in
order to write a new reference file for steering MD calculations.
if i use a command like:
>> mol load pdb ******.pdb dcd ******.dcd <<
everything works fine, but this command reads the whole trajectory (frame 0
to 1000) and i am actually only interested in the last frame (1000). there
must be a way for reading only the last frame such as:
>> mol new {******.pdb} type pdb <<
>> mol addfile {******.dcd} last <<
however, vmd dies directly after putting this command. the users guide says
that one can use mol addfile like this.

i tried different things as well, such as:
a) different types of writing this command as >> ....} frame last <<, >>
....} last last <<, and so on. for reasons of my particular problem, i
cannot put the integer refering to the last frame, i.e. i cannot write >>
....} last 1000 <<.
b) and writing >> mol addfile {******.dcd} type dcd last << leads to the
situation that the whole trajectory (from 0 to 1000) is read. i guess last
is just ignored.

can someone help me on this problem? what is the correct syntax?
cheers
philipp