helix analysis (fwd)

From: Prabal Maiti <maiti_at_wag.caltech.edu>
Date: Thu 23 May 2002 14:30:33 -0700 (PDT)

Can someone help me with this. Still it does not work for me.
Prabal

---------- Forwarded message ----------
Date: Mon, 20 May 2002 12:20:45 -0700 (PDT)
From: Prabal Maiti <maiti_at_intel4.wag.caltech.edu>
To: AMBER mailing list <amber_at_heimdal.compchem.ucsf.edu>
Subject: helix analysis

I am trying to analyse helical paprameters for a 10-mer B-DNA (1bd1 pdb
code). I have the topology file created by xleap and several restart file
created through ptraj form AMBER trajectory file.
Below is my anal.in file

TITLE 'Helix parameter'
    1 0 0 0 22 1
    0 51.4828921 39.7147560 57.5269096 90.0
    1 0 1 0 50 1
   0.0 2.0 1.2 1.0
    0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
HELIX
0 0 0 0 0
STOP

However it exits saying
THE DNA IS NOT A STANDARD TYPE ... NSTRAND = 0

I used AMBER95 FF.
Can someone susggest whats happening and possibly send me a coorect
anal.in file.

Thanks
Prabal


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Prabal K Maiti                             Email:maiti_at_wag.caltech.edu
Beckman Institute (139-74)                       pkmaiti_at_yahoo.com
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Received on Thu May 23 2002 - 14:30:33 PDT
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