| commit | 675bfc76ab7febe514af377490f1368e94b79c56 | |
| author | Carsten Kutzner <ckutzne@gwdg.de> | |
| Tue, 1 Mar 2016 14:43:13 +0000 (1 15:43 +0100) | ||
| committer | Kasson <kasson@gmail.com> | |
| Fri, 9 Jun 2017 22:51:25 +0000 (10 00:51 +0200) | ||
| tree | 796549482448d5f47f3e6b004fd78afacf41dbd4 | treesnapshot (tar.gz zip) |
| parent | 043bc7154e98522f8475b7bb13eaa33b84da45c2 | commitdiff |
Moved essential dynamics initialization call into do_md()
- init_edsam is now called in do_md() in the same code block
where the membed and the swap code gets initialized
- the ed struct is removed from the integrator calls
- removed a TODO, which was actually already done (closing of edo file)
- Fixes one of the TODOs left from gerrit.gromacs.org/#/c/5660/
Change-Id: I396cf943fe34ef1683204effd4d5e935e6132dd7
- init_edsam is now called in do_md() in the same code block
where the membed and the swap code gets initialized
- the ed struct is removed from the integrator calls
- removed a TODO, which was actually already done (closing of edo file)
- Fixes one of the TODOs left from gerrit.gromacs.org/#/c/5660/
Change-Id: I396cf943fe34ef1683204effd4d5e935e6132dd7