minor fixes

diff --git a/src/spacetimecorr.cpp b/src/spacetimecorr.cpp
index 7701a91119756ab34964f93e7affa436b3eb2f4e..b42f0f4f0b0af3509f8db91c5fb0c471414c628c 100644 (file)
--- a/src/spacetimecorr.cpp
+++ b/src/spacetimecorr.cpp
@@ -470,7 +470,8 @@ SpaceTimeCorr::initAfterFirstFrame(const TrajectoryAnalysisSettings       &setti
 // -s '/home/toluk/Develop/samples/reca_rd/reca_rd.mono.tpr' -f '/home/toluk/Develop/samples/reca_rd/reca_rd.mono.xtc' -n '/home/toluk/Develop/samples/reca_rd/testCa.ndx' -sf '/home/toluk/Develop/samples/reca_rd/SelListCa' -tau 9000 -crl 0.60 -ef_rad 1
 
 // -s '/home/toluk/Develop/samples/CubeTermal/CUBETermalTest1.pdb' -f '/home/toluk/Develop/samples/CubeTermal/CUBETermalTest.pdb' -n '/home/toluk/Develop/samples/CubeTermal/testCa.ndx' -sf '/home/toluk/Develop/samples/CubeTermal/SelListCa' -tau 900 -crl 0.20 -ef_rad 1
-
+// cube.000.000.10k.10.3.1stfrm
+// -s '/home/toluk/Develop/samples/JustCube/cube.000.000.10k.10.3.1stfrm.pdb' -f '/home/toluk/Develop/samples/JustCube/cube.000.000.10k.10.3.pdb' -n '/home/toluk/Develop/samples/JustCube/system.ndx' -sf '/home/toluk/Develop/samples/JustCube/SLsystem' -tau 1000 -crl 0.20 -ef_rad 9000 -out_put OLA
 void
 SpaceTimeCorr::analyzeFrame(int frnr, const t_trxframe &fr, t_pbc *pbc,
                       TrajectoryAnalysisModuleData *pdata)