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(parent: e8a1649) | patch
fixed incorrect TPI results with dynamic box
authorBerk Hess <hess@kth.se>
Mon, 6 Aug 2012 18:52:59 +0000 (20:52 +0200)
committerBerk Hess <hess@kth.se>
Mon, 6 Aug 2012 18:52:59 +0000 (20:52 +0200)
commit69c3cba66ad1a44cffd8f3c4d4686b1d9b85f4ae
treeaab019012b3af78fb051b2d66255befcbc469b35tree | snapshot
parente8a1649b6a9c391fe320d963d1fd20703223fda6commit | diff
fixed incorrect TPI results with dynamic box

TPI with a box in the -rerun file different from the tpr gave systematic
errors. In Gromacs 4.0 there was a minor error, but not systematic.
Now TPI with any box setup is fully correct. Fixes #799

Change-Id: I69279874c2d1192e63efa224a0f035d43e919e88
src/mdlib/tpi.c diff | blob | history
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