[gmx-users] order parameters

Kia Balali-Mood Kia.Balali-Mood at ed.ac.uk
Mon Mar 29 17:31:01 CEST 2004


Dear all

Ideally i'd like to work out individual order parameters for a single lipid
(oleyl chains) within my system. However, when i make an index file
with my selected atoms (only 3...say C1, C2 & C3..C2 for a particular lipid
being the one i want the OPs for) i get this error message:

warning distance between X and X <0.3 nm!!!


Think my command is right..least it works when i get the OPS per leaflet!

g_order -n index.ndx -b 0 -e 10000 -szonly


Any ideas will be most welcome..i'll try it with say 2 or 3 carbons ..i dunno if
that will work..though

it works well per leaflet of the bilayer in my system!

thanks in advance!

Kia
******************************************************************************
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



More information about the gromacs.org_gmx-users mailing list