[gmx-users] Re: Questions

lloyd riggs lloyd.riggs at gmx.ch
Tue Apr 17 18:08:42 CEST 2012

I solved the problem on a Linux machine, with about all the text editors, I was stuck for days on a PC, which even the script editors couldn't spot a difference in files.  all i used was ms txteditor to cut and paste.

> I dont know.  All I know is if I have it print one of the other deminsions, I get the other curves mentioned.

"When accusing the code of doing something wrong, "I don't know" isn't a very
good justification ;)  The contents of pullx.xvg are the COM coordinates of the
reference group on the axis or axes along which the restraint was applied,
followed by the distance between the reference and pulled group, again along
each axis.  In your case you should have the y-coordinate of the COM of the
reference, and dY, which represents the distance between the two groups along
the y-axis only.  These values should be easy to confirm with g_traj and g_dist."



Stephan Watkins

NEU: FreePhone 3-fach-Flat mit kostenlosem Smartphone!                                  
Jetzt informieren: http://mobile.1und1.de/?ac=OM.PW.PW003K20328T7073a

More information about the gromacs.org_gmx-users mailing list