[AMBER] Entropy calculation using nmode in mm_pbsa.pl

From: Sushil Mishra <sushilbioinfo.gmail.com>
Date: Sun, 6 Jun 2010 14:22:26 +0200

Hi all,

I am trying entropy calculation using nmode. Every time my calculations
finished well but i am not getting snap_statistics.out firm which contains
the average of all the snapshots. To check the errors i tried calculation
with only 10 snapshots ant still i am unable to catch the mistake. I tried
to rum it separately by mm_pbsa_statistics.pl 2 0
snap_statistics.insnap_statistics.out but unfortunately its not
writing any statistics data. I
am attaching all the three *.all.out files with my input script for nmode
calculation, please can anyone of you point out the mistake ?

Reg
Sushil


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Received on Sun Jun 06 2010 - 05:30:03 PDT
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