[gmx-users] make_edi

vijaya subramanian vijaya65 at hotmail.com
Thu Apr 22 18:56:32 CEST 2010

When I run make_edi with a small eigenvec.trr file it works, but gives me a segmentation fault when I input large .trr files generated using g_covar.  These large eigenvector
files work well with g_anaeig and I have used them to generate projections as well as filtered trajectories.
The command line with options for make_edi is given below: 

make_edi -linfix "4,5,7,8" -outfrq 500 -f eigvec.trr -s fframe.gro  -o edsamp.edi -linstep ".0001 .0001 .0001 .0001"

One option would be to read the large eigenvec.trr file and write out only the eigenvectors
I need to a new file.  Is there some way I can do that?  Else, is there some way to modify
make_edi so I don't get a segmentation fault.

The New Busy think 9 to 5 is a cute idea. Combine multiple calendars with Hotmail. 
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20100422/d7cb8d51/attachment.html>

More information about the gromacs.org_gmx-users mailing list