[gmx-users] Re: gmx-users digest, Vol 1 #1348 - 5 msgs

Kia Balali-Mood Kia.Balali-Mood at ed.ac.uk
Wed Mar 24 13:09:01 CET 2004

Hi Itamar

What does ur index file look like....?
In theory u should have the carbon atom which ur trying to calculate an order
parameter for & the one before/after it. it takes time particularly as u'll
have 12 order parameters to get in individual files. get back to me if ur still
having problems.
good luck


  Dear all, I did a
> simulation of peptide in membrane of DMPC embedded in water.  In order
> to validate the results, I try to calculate the order parameter of the
> DMPC.  I created a file which holds only the tails atoms of all the
> DMPC molecules.  But the output file (order.xvg) is empty, except the
> headers.  I saw some other with my problem in the mailing list, but no
> solution, can someone advice me?
>   Thanks, Itamar.

Kia Balali-Mood
Laboratory of Membrane Biophysics
Division of Veterinary Biomedical Sciences
College of Medicine & Veterinary Medicine
The Vet School
University of Edinburgh
Edinburgh, EH9 1QH
Tel. +44 (0)131 650 6142
Fax. +44 (0)131 650 6576

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