[gmx-users] g_dist problems

Edvin Erdtman edvin.erdtman at nat.oru.se
Tue May 22 14:53:50 CEST 2007


I am doing MD-calculations on double layer lipid membranes. When I 
wanted to calculate the distance between the com. of the lipids and my 
molecule with g_dist, the program just stops! Sometimes directly and 
sometimes after a couple of picoseconds. When checking the output it can 
end like this:

 216.0000153    3.7262651    2.1282473    1.1397220   -2.8384237
 216.5000153    3.7

Am I doing something wrong? I tried to convert the trajectory using 
trjconv -pbc, but non of the options seems to work.


Edvin Erdtman Ph.D. student
Department of Natural Sciences
and Örebro Life Science Center
Örebro University
701 82 Örebro, Sweden
phone: +46 (0)19 30 36 69

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