Hi Vijay,
You will be able to do this with ptraj or cpptraj using the 'strip' command, have a look in the AmberTools manual.
Best,
Callum
________________________________________
From: amber-bounces.ambermd.org [amber-bounces.ambermd.org] on behalf of Vijay Manickam Achari [vjrajamany.yahoo.com]
Sent: 03 March 2014 08:57
To: Amber mailing List
Subject: [AMBER] extracting selected lipids from bilayer
Dear Sir,
I have simulated double bilayers (two bilayers - total of four monolayers).
I would name each layer with L1, L2, L3, and L4.
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.
How I can achieve this using cpptraj or ptraj?
I would appreciate any help related to this.
Many thanks in advance.
Vijay Manickam Achari
(Phd Student)
Chemistry Department,
University of Malaya,
Malaysia
vjramana.gmail.com
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Received on Mon Mar 03 2014 - 02:30:02 PST
