Em 22/07/2015 14:51, Christopher Neale chris.ne...@alum.utoronto.ca
escreveu:
Dear Users:
I believe that gromacs 5 pdb2gmx does not faithfully reproduce the
AMBER99sb-ILDN force field.
It is not exclusive behavior for any particular FF. I've got same error for
Gromos54a7. If one uses multiple
Hi Chris and everyone,
The bug in question affects 5.0.x and it is related to the hackblock
handling of pdb2gmx. As the above linked redmine page indicates, it is
indeed a duplicate of previously reported issues (#1755 and #1755). It has
been first identified and fixed as a bug a few weeks ago,
