Hi,
I am trying to calculate g_rdf using only the x and y components of the
distance (gromacs 4.0.4):
g_rdf -f trajectory.xtc -s production1.tpr -n index.ndx -o rdf_Na_xy.xvg -com
-norm -pbc -xy and the calculations stays at the window:
Select a group: 1
Selected 1: 'UNK'
Select a group: 4
Selected 4: 'Na'
Reading frame 0 time 0.000
for days...(I had to kill it after 4 days).
Using the same order without -xy takes only 10 minutes.
Is there anything wrong with the commands I am using? Or maybe is there a bug
in the -xy option?
Thank you very much for your help, in advance.
Best wishes,
Rebeca Garcia.
_________________________________________________________________
Los auténticos Hotmail y Messenger en tu Blackberry con Movistar.
¡Descárgatelos ya!
http://serviciosmoviles.es.msn.com/messenger/blackberry.aspx--
gmx-users mailing list [email protected]
http://lists.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at http://www.gromacs.org/search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to [email protected].
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
