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Require TPR file for gmx cluster
author
Erik Lindahl
<erik@kth.se>
Tue, 12 Dec 2017 14:31:07 +0000
(15:31 +0100)
committer
Roland Schulz
<roland.schulz@intel.com>
Tue, 12 Dec 2017 18:34:37 +0000
(19:34 +0100)
The program crashes without it, so it wasn't
optional.
Fixes #2170.
Change-Id: I63af728eea047dd4c3b11d890d507473109a7279
src/gromacs/gmxana/gmx_cluster.cpp
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diff --git
a/src/gromacs/gmxana/gmx_cluster.cpp
b/src/gromacs/gmxana/gmx_cluster.cpp
index 96cdf384ca7217507cfbb7dea6c4d8b1a756e145..9e4838c5bd848c7d595dcd3891f37f192e3b0701 100644
(file)
--- a/
src/gromacs/gmxana/gmx_cluster.cpp
+++ b/
src/gromacs/gmxana/gmx_cluster.cpp
@@
-1476,7
+1476,7
@@
int gmx_cluster(int argc, char *argv[])
};
t_filenm fnm[] = {
{ efTRX, "-f", nullptr, ffOPTRD },
- { efTPS, "-s", nullptr, ff
OPTR
D },
+ { efTPS, "-s", nullptr, ff
REA
D },
{ efNDX, nullptr, nullptr, ffOPTRD },
{ efXPM, "-dm", "rmsd", ffOPTRD },
{ efXPM, "-om", "rmsd-raw", ffWRITE },