[gmx-users] gmx genrestr

amitbehra at chemeng.iisc.ernet.in amitbehra at chemeng.iisc.ernet.in
Wed Nov 23 11:09:38 CET 2016


Hello,
I generated a distance matrix for C-alpha of the protein. I included in
.top file too. But still when I am running grompp there is an error:
NOTE 2 [file unknown]:
  disre = no, removed 45753 distance restraints
Do I need to change anything else apart from justchanging the "define"
parameter in the mdp file ?

Thanks,
Amit Behera

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