AMBER: how to extract x,y,z of a set of atoms from an MD trajectories

From: <fatima.chami.durham.ac.uk>
Date: Thu, 19 Jun 2008 10:16:52 +0100

Dear Amber's users,

I need to extract the coordinates of two atoms on a given number of residues
from an MD trajectory file.

I tried the following script within Ptraj but it did not dump any output and end
up with a segmentation fault:

trajin stack8w_md2-10_no_wat.binpos
vector v1 :4.C11 corr :4.O2 out C11O2.out

any help

fatima






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Received on Sun Jun 22 2008 - 06:07:29 PDT
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