Hi,
On Mon, Mar 3, 2014 at 1:57 AM, Vijay Manickam Achari
<vjrajamany.yahoo.com>wrote:
> Layer one (L1) comprise lipid numbers from 1 to 64,
> layer two (L2) comprise lipid numbers from 65 to 128,
> layer three (L3) comprise lipid numbers from 129 to 192 and
> layer four (L4) comprise lipid numbers from 193 to 256.
>
> What I want is to extract out only the L1 (lipids from 1-64) from each
> frame from the whole trajectory.
>
You can actually do this in one shot using cpptraj with multiple
strip/outtraj commands:
# L1
strip !:1-64
outtraj L1.nc
unstrip
strip !:65-128
outtraj L2.nc
unstrip
And so on for the remaining two layers. The 'unstrip' command resets
topology/coordinates to what they were before any modifications. Let me
know if you have any other questions.
-Dan
--
-------------------------
Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 201
Salt Lake City, UT 84112-5820
http://home.chpc.utah.edu/~cheatham/
(801) 587-9652
(801) 585-6208 (Fax)
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Received on Mon Mar 03 2014 - 07:30:02 PST
