Dear Hendrik,
that indeed looks a bit strange. If you provide the necessary input
files for a test, I could have a look at what might be wrong.
You can put them somewhere for download or email them directly
to me (not to the list, they will not be accepted).
Carsten
> On 30 Mar 2016, at 16:11,
Hi everyone,
I want to do umbrella sampling along a PCA eigenvector using 'gmx
make_edi'. The eigenvectors of the protein backbone atoms were computed
using 'gmx covar'. The command for generating the 'sam.edi' file looks
like the following:
gmx make_edi -s topol.tpr -f eigenvec.trr -eig
