grompp now retains the order of bonds converted to constraints
authorBerk Hess <hess@kth.se>
Mon, 21 May 2012 17:07:09 +0000 (19:07 +0200)
committerBerk Hess <hess@kth.se>
Mon, 21 May 2012 17:07:09 +0000 (19:07 +0200)
commit080304edc64ce7b9578b874e38c9d6b5a907ad53
treede846d943e68d36d8a0d2e37d94fa0a387cb089d
parentd005078390ffc278ae35e4c4805aa092c7b9e6d9
grompp now retains the order of bonds converted to constraints

With the constraint mdp option grompp used to write tpr files where
the order of the constraints was reversed with respect to the order
of the bonds. This reordering has been removed.

Change-Id: I094c5001ccad1e80f46b61c4fbcfa400fd5c1e74
src/kernel/topshake.c