True. Even more so if the position restraints file can be generated with basic Bash commands in under a minute.
Jernej On 28. mar. 2012, at 20:16, gmx-users-requ...@gromacs.org wrote: > It's pretty rare to have more than a handful of [moleculetype] sections, > each of which would want customized [position_restraints]. pdb2gmx will > write all-heavy-atom [position_restraints] sections which serve most > purposes. It would not be hard to modify genrestr to be useful in the > general case, but until a developer needs it badly enough, it'll be a > low priority :-) > > Mark
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