Re: [gmx-users] Major code reorganization in git coming up

Hi Erik, Happy New Year! Last year (:p) I rewrote the routine from Andrea Amadei for application of rotational constraints in a statistical mechanical consistent manner. It's completely parallellelellized and consistent with pd/dd as well as application every so many steps. The tests seem good, a

[gmx-users] Major code reorganization in git coming up

Hi! We figured we'd celebrate the upcoming new year with some major changes in the git development branch, consisting primarily of C++ support and a more modular organization of files. This is a gradual process, so this mail is a bit of a warning-message that the master/development branch might

[gmx-users] Major code reorganization in git coming up

Hi! We figured we'd celebrate the upcoming new year with some major changes in the git development branch, consisting primarily of C++ support and a more modular organization of files. This is a gradual process, so this mail is a bit of a warning-message that the master/development branch might