(no subject)

hi all user,
below is my dump file

hi all user,
below is my dump file

omitting this part

1)
I don't want to print in my dump file from first line to 9th line i.e this
one
ITEM: TIMESTEP
0
ITEM: NUMBER OF ATOMS
512
ITEM: BOX BOUNDS pp pp pp
0.103605 10.3129
0.103605 10.3129
0.103605 10.3129
ITEM: ATOMS id type x y z c_pe c_1
is there any option to do this ??

I don't think so. For one thing, this text (lines 1-9) separate
(delimit) one frame in the trajectory from another. K eep in mind,
there will (hopefully) be more than one frame in your dump file.

2)
my last two column is c_pe is potential energy per atom and c_1 is
coordination number per atom. in coordination number there are some
4,5,3,6 are present. i need only 4 coordinated atom and corresponding to
its x,y,z coordinate or potential energy. so is there any option to do
this?

I think it is assumed that the user can write a simple script to
extract the information they need out of the dump file (using python
or awk or perl, etc...)

I attached a short awk script to this post which does (I think) what
you want. To use it, use:

awk -f print4coordinatedatom.awk < dump_file

This script prints a single blank line between frames.
Currently, I'm printing columns 3, 4, 5, 6. To change this, edit this line:
print $3" "$4" "$5" "$6

If you are using windows, then I can't help you (unless you install
cygwin or mingw).

Also check out
http://pizza.sandia.gov/
http://lammps.sandia.gov/doc/dump_modify.html
  (dump 1 modify sort id)

Cheers
Andrew

print4coordinatedatom.awk (326 Bytes)