| commit | dca29f686049d3bc0cadc6d07f6d6bb489b87e98 | |
| author | Berk Hess <hess@kth.se> | |
| Wed, 7 Mar 2018 12:48:42 +0000 (7 13:48 +0100) | ||
| committer | Mark Abraham <mark.j.abraham@gmail.com> | |
| Fri, 9 Mar 2018 16:47:11 +0000 (9 17:47 +0100) | ||
| tree | 7d16a996d87090990a29763eccc2b38daa28b11b | treesnapshot (tar.gz zip) |
| parent | a9cb8eac8b0f783edc0f991f459a6ac172579a03 | commitdiff |
Correct pdb2gmx -missing option
The help text for the pdb2gmx -missing option only mentioned
missing atoms, but when atoms are missing also bonded interactions
will be missing. Now bonds are mentioned in the help text.
Since -missing allows for missing bonds, it now also allows for
dangling bonds at termini (which can actually be useful in special
cases).
Change-Id: I8d7215691ffc7dbb49f41964af9639c01355d775
The help text for the pdb2gmx -missing option only mentioned
missing atoms, but when atoms are missing also bonded interactions
will be missing. Now bonds are mentioned in the help text.
Since -missing allows for missing bonds, it now also allows for
dangling bonds at termini (which can actually be useful in special
cases).
Change-Id: I8d7215691ffc7dbb49f41964af9639c01355d775
| src/gromacs/gmxpreprocess/pdb2gmx.cpp | diffblobblamehistory | |
| src/gromacs/gmxpreprocess/pdb2top.cpp | diffblobblamehistory | |
| src/gromacs/gmxpreprocess/pdb2top.h | diffblobblamehistory |