| commit | 1ab2eb0130d34d9db1c1463ff6358598766b632e | |
| author | Mark Abraham <mark.j.abraham@gmail.com> | |
| Fri, 12 Feb 2016 09:18:49 +0000 (12 10:18 +0100) | ||
| committer | Mark Abraham <mark.j.abraham@gmail.com> | |
| Sat, 19 Mar 2016 00:30:06 +0000 (19 01:30 +0100) | ||
| tree | a84b3b5b0d468c883a4ea1ab303054e1389f2bef | treesnapshot (tar.gz zip) |
| parent | bec9c8757e59cae58fc61ed841c0bb73c84079db | commitdiff |
Improved some mdrun integration tests
Made some better naming.
Avoided using the whole of OPLS/AA just to get water parameters, which
may have been unstable when calling grompp many times in a binary, for
reasons unknown.
Removed warning suppressions for unsupported icc compiler versions.
Change-Id: I5107fca64f6a73e3c0b85146f28347453ded705a
Made some better naming.
Avoided using the whole of OPLS/AA just to get water parameters, which
may have been unstable when calling grompp many times in a binary, for
reasons unknown.
Removed warning suppressions for unsupported icc compiler versions.
Change-Id: I5107fca64f6a73e3c0b85146f28347453ded705a