Re: [AMBER] how to measure atom distance in md trajectories using ptraj program

From: Bala Subramani <glbala87.gmail.com>
Date: Wed, 28 Mar 2012 11:25:41 -0700

this is my input :
distance end_to_end :6.O :7.H out dist_end_to_endOH.list

actually i want to measure distance between methionine carboxyl oxygen
& aspargine n terminal hydrogen... methionine is 6th residue &
aspargine is 7th residue in my pdb... i want to measure this
methionine carboxyl oxygen & aspargine n terminal hydrogen distance in
my all trajectories...totally i ve 10 trajectory files... how to do???

i ve executed this above input & it showed the dist_end_to_endOH.list
in dist_end_to_endOH.list, it showed me a 2 columns. column one is
no.of frames & column two is distance values corresponding to
frames...i ve looked into these values... shortest distance occurs in
32163th frame.... but wen i looked into this 32163th frame pdb in
pymol.. the methionine carboxyl oxygen & aspargine n terminal
hydrogen distance varies.... could anyone tell me wat might be the
reason for this??? thanks in advance....

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Received on Wed Mar 28 2012 - 11:30:01 PDT
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