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

[Kia Balali-Mood]

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

Kia

  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
Summerhall
Edinburgh, EH9 1QH
Tel. +44 (0)131 650 6142
Fax. +44 (0)131 650 6576
leaflet.vet.ed.ac.uk