[gmx-users] Position restraints problem
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 :-)
-------------- next part --------------
A non-text attachment was scrubbed...
Size: 2077 bytes
Desc: not available
More information about the gromacs.org_gmx-users