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Made mdrun appending work again
author
Berk Hess
<hess@kth.se>
Thu, 26 Sep 2019 21:26:33 +0000
(23:26 +0200)
committer
Berk Hess
<hess@kth.se>
Thu, 26 Sep 2019 21:26:33 +0000
(23:26 +0200)
Fix that mdrun would only append the log file and create new files
for all other file types.
Fixes #3108
Change-Id: I0fe517f4ce3f6630e589a65d106ca67bcb14765b
src/gromacs/mdrun/md.cpp
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diff --git
a/src/gromacs/mdrun/md.cpp
b/src/gromacs/mdrun/md.cpp
index 1a4f8a9347da6126095abebec24e1baa411a50a9..96b02d17d4faf4a0c9509da2b09e81b0f67fce50 100644
(file)
--- a/
src/gromacs/mdrun/md.cpp
+++ b/
src/gromacs/mdrun/md.cpp
@@
-254,7
+254,7
@@
void gmx::LegacySimulator::do_md()
pleaseCiteCouplingAlgorithms(fplog, *ir);
}
gmx_mdoutf *outf = init_mdoutf(fplog, nfile, fnm, mdrunOptions, cr, outputProvider, mdModulesNotifier, ir, top_global, oenv, wcycle,
-
StartingBehavior::NewSimulation
);
+
startingBehavior
);
gmx::EnergyOutput energyOutput(mdoutf_get_fp_ene(outf), top_global, ir, pull_work, mdoutf_get_fp_dhdl(outf), false, mdModulesNotifier);
gstat = global_stat_init(ir);