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(parent: fba92a5) | patch
Don't require matching names between rtp and tdb files
authorErik Lindahl <erik@kth.se>
Sun, 31 Dec 2017 14:03:05 +0000 (15:03 +0100)
committerMark Abraham <mark.j.abraham@gmail.com>
Tue, 2 Jan 2018 11:24:40 +0000 (12:24 +0100)
commit61e5b7363f232a77ede2e6dbc227a9409110b86a
treec37c2a6af37630a4cb6867c08fb3e1ad9853d956tree | snapshot
parentfba92a59628c0fb04f7c2b6f110ab357fe6861efcommit | diff
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
src/gromacs/gmxpreprocess/pdb2gmx.cpp diff | blob | history
src/gromacs/gmxpreprocess/ter_db.cpp diff | blob | history
src/gromacs/gmxpreprocess/ter_db.h diff | blob | history
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