VMD-L Mailing List

From: syma (syma.khalid_at_bioch.ox.ac.uk)
Date: Thu Jan 12 2006 - 10:03:02 CST

Hi,

I have attached a script I use to work print out the number of lipid-protein
contacts and the coordinates of the lipid atom involved in the contact for
each frame of a trajectory. This seemed to be working ok when I was looking
for large numbers of contacts, eg the whole protein. However when I try to
analyse contacts for only selected protein residues, the script doesn't read
all the frames/write output for all frames in the trajectory and stops at
what seem like arbitrary points.

Please could you help me to identify the cause of this?

Thanks in advance for your help.

-Syma

***************************************************

Dr Syma Khalid
Department of Biochemistry,
University of Oxford
South Parks Road,
Oxford
OX1 3QU
U.K.

***************************************************