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(parent: 4717d40) | patch
Remove need for GROMOS FF in test
authorBerk Hess <hess@kth.se>
Tue, 30 Jul 2019 11:50:13 +0000 (13:50 +0200)
committerMark Abraham <mark.j.abraham@gmail.com>
Wed, 31 Jul 2019 08:47:56 +0000 (10:47 +0200)
commit93b688c2489bc95250594105b1a56b346d439dc5
tree395c0436ed5bac1a3f87fcaf03cbc36d01ac7a90tree | snapshot
parent4717d4069d58639dc8ce30dcb66bb195beed94efcommit | diff
Remove need for GROMOS FF in test

The methanol + SPC test system in the simulation database now
incorpates the needed GROMOS force field parameters in the top file
to avoid dependence on the deprecated force field files.

Change-Id: Ib039c09fd38dfc153aed0787ecf14991ccb795cf
src/testutils/simulationdatabase/spc-and-methanol.top diff | blob | history
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