[gmx-users] make_edi

Carsten Kutzner ckutzne at gwdg.de
Fri Apr 23 10:05:12 CEST 2010

Hi Vijaya,

what version of Gromacs is this and how big do the trr files
have to be so that the segv shows up?


On Apr 22, 2010, at 6:56 PM, vijaya subramanian wrote:

> Hi
> 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.
> Thanks
> Vijaya
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