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Even though the help lets think that backward can write PDB files, it actually always write GRO files.

I used backward to go from an atomistic representation to a coarse grained one. Yet, in my mapping, names from the CG representation were the same as names in the AA one. As a result, the CG beads were placed at the coordinates of the atoms of the same names rather than where they should.

Hello! We have had this question unanswered for over 27 days, and it seems to be about MartiniTools. Do you have any idea how to answer it?

https://mattermodeling.stackexchange.com/q/6448/5

Hello,

I am trying to backmap a CG structure to an all-atom representation (Amber03).

When I run initram.sh, I get the following error:

ERROR 1 [file 1-EM.mdp]:
  Energy group exclusions are currently not supported

I think group cutoff is deprecated in the latest GROMACS, so I am not sure what to do. Any help would be greatly appreciated

Thank you! :-)