[gmx-users] Position restraints problem

Jernej Zidar jernej.zidar at gmail.com
Wed Mar 28 15:33:28 CEST 2012

True. Even more so if the position restraints file can be generated with basic Bash commands in under a minute.


On 28. mar. 2012, at 20:16, gmx-users-request at 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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