| commit | 61e5b7363f232a77ede2e6dbc227a9409110b86a | |
| author | Erik Lindahl <erik@kth.se> | |
| Sun, 31 Dec 2017 14:03:05 +0000 (31 15:03 +0100) | ||
| committer | Mark Abraham <mark.j.abraham@gmail.com> | |
| Tue, 2 Jan 2018 11:24:40 +0000 (2 12:24 +0100) | ||
| tree | c37c2a6af37630a4cb6867c08fb3e1ad9853d956 | treesnapshot (tar.gz zip) |
| parent | fba92a59628c0fb04f7c2b6f110ab357fe6861ef | commitdiff |
Don't require matching names between rtp and tdb files
This was only documented in the source. It's a remnant
from the days when all force fields were in the same
directory, and no longer necessary. With this change we
will properly match all termini to all amino acids.
Fixes #2026, #2027.
Change-Id: Ie7bf8e65892281cc2744146a5525be0c4afdcecf
This was only documented in the source. It's a remnant
from the days when all force fields were in the same
directory, and no longer necessary. With this change we
will properly match all termini to all amino acids.
Fixes #2026, #2027.
Change-Id: Ie7bf8e65892281cc2744146a5525be0c4afdcecf
| src/gromacs/gmxpreprocess/pdb2gmx.cpp | diffblobblamehistory | |
| src/gromacs/gmxpreprocess/ter_db.cpp | diffblobblamehistory | |
| src/gromacs/gmxpreprocess/ter_db.h | diffblobblamehistory |