correction to 4P energy and csa examples

[unres.git] / examples / unres / CSA / 4P / outputs / 1l2y_csa.out_GB003

diff --git a/examples/unres/CSA/4P/outputs/1l2y_csa.out_GB003 b/examples/unres/CSA/4P/outputs/1l2y_csa.out_GB003
index a6aefc7..5df4931 100644 (file)
--- a/examples/unres/CSA/4P/outputs/1l2y_csa.out_GB003
+++ b/examples/unres/CSA/4P/outputs/1l2y_csa.out_GB003
@@ -139,7 +139,7 @@ CSA calculations calculation.
 Conformations will be energy-minimized.
 ********************************************************************************
 
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@@ -147,13 +147,11 @@ Waiting for     0.0000 sec
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  Finishing minim_jlee - signal           0  from master
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@@ -235,19 +236,17 @@ Waiting for     0.0000 sec
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@@ -255,19 +254,15 @@ Waiting for     0.0000 sec
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@@ -278,14 +273,10 @@ Waiting for     0.0000 sec
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@@ -293,6 +284,7 @@ Waiting for     0.0000 sec
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@@ -300,23 +292,24 @@ Waiting for     0.0000 sec
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 Waiting for     0.0000 sec
-Waiting for     0.0001 sec
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+Waiting for     0.0450 sec
 Waiting for     0.0000 sec
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+Waiting for     0.0002 sec
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+Waiting for     0.0754 sec
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-Waiting for     0.0001 sec
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-Waiting for     0.0977 sec
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@@ -878,11 +828,11 @@ Waiting for     0.0000 sec
 Waiting for     0.0000 sec
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+Waiting for     0.0978 sec
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-Waiting for     0.0883 sec
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@@ -892,22 +842,24 @@ Waiting for     0.0000 sec
 Waiting for     0.0000 sec
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 Waiting for     0.0000 sec
+Waiting for     0.0183 sec
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 Waiting for     0.0000 sec
-Waiting for     0.0828 sec
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 Waiting for     0.0000 sec
 Waiting for     0.0000 sec
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+Waiting for     0.0001 sec
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+Waiting for     0.0010 sec
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-Waiting for     0.0275 sec
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+Waiting for     0.0846 sec
 Waiting for     0.0000 sec
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 Waiting for     0.0000 sec
@@ -921,13 +873,12 @@ Waiting for     0.0000 sec
 Waiting for     0.0000 sec
 Waiting for     0.0000 sec
 Waiting for     0.0000 sec
+Waiting for     0.0395 sec
 Waiting for     0.0000 sec
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-Waiting for     0.0964 sec
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 Waiting for     0.0000 sec
-Waiting for     0.0001 sec
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@@ -936,8 +887,8 @@ Waiting for     0.0000 sec
 Waiting for     0.0000 sec
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-Waiting for     0.0992 sec
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+Waiting for     0.0938 sec
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@@ -945,11 +896,8 @@ Waiting for     0.0000 sec
 Waiting for     0.0000 sec
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-Waiting for     0.0001 sec
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@@ -965,22 +913,24 @@ Waiting for     0.0000 sec
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-Waiting for     0.0906 sec
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+Waiting for     0.0760 sec
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+Waiting for     0.0002 sec
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+Waiting for     0.0002 sec
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+Waiting for     0.1012 sec
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@@ -988,25 +938,27 @@ Waiting for     0.0000 sec
 Waiting for     0.0000 sec
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 Waiting for     0.0000 sec
-Waiting for     0.0002 sec
 Waiting for     0.0000 sec
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 Waiting for     0.0000 sec
+Waiting for     0.0001 sec
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+Waiting for     0.0001 sec
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+Waiting for     0.0800 sec
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-Waiting for     0.0755 sec
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@@ -1017,8 +969,8 @@ Waiting for     0.0000 sec
 Waiting for     0.0000 sec
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+Waiting for     0.1530 sec
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@@ -1030,42 +982,44 @@ Waiting for     0.0000 sec
 Waiting for     0.0000 sec
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 Waiting for     0.0000 sec
-Waiting for     0.0920 sec
 Waiting for     0.0001 sec
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+Waiting for     0.0749 sec
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+Waiting for     0.0002 sec
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+Waiting for     0.0856 sec
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-Waiting for     0.0253 sec
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-Waiting for     0.0002 sec
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+Waiting for     0.1004 sec
+Waiting for     0.0001 sec
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+Waiting for     0.0001 sec
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-Waiting for     0.0002 sec
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-Waiting for     0.0968 sec
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+Waiting for     0.0946 sec
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@@ -1078,13 +1032,14 @@ Waiting for     0.0000 sec
 Waiting for     0.0000 sec
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+Waiting for     0.0002 sec
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+Waiting for     0.2734 sec
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@@ -1093,22 +1048,20 @@ Waiting for     0.0000 sec
 Waiting for     0.0000 sec
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-Waiting for     0.0969 sec
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+Waiting for     0.0002 sec
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 Waiting for     0.0000 sec
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+Waiting for     0.0797 sec
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@@ -1116,10 +1069,10 @@ Waiting for     0.0000 sec
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+Waiting for     0.0727 sec
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-Waiting for     0.0851 sec
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@@ -1127,9 +1080,9 @@ Waiting for     0.0000 sec
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+Waiting for     0.0598 sec
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-Waiting for     0.0583 sec
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@@ -1138,9 +1091,12 @@ Waiting for     0.0000 sec
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+Waiting for     0.0001 sec
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+Waiting for     0.0994 sec
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+Waiting for     0.0002 sec
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@@ -1150,6 +1106,7 @@ Waiting for     0.0000 sec
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+Waiting for     0.0438 sec
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@@ -1157,19 +1114,19 @@ Waiting for     0.0000 sec
 Waiting for     0.0000 sec
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-Waiting for     0.0489 sec
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+Waiting for     0.0002 sec
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+Waiting for     0.0928 sec
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-Waiting for     0.0585 sec
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@@ -1177,10 +1134,11 @@ Waiting for     0.0000 sec
 Waiting for     0.0000 sec
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 Waiting for     0.0000 sec
+Waiting for     0.0002 sec
+Waiting for     0.1201 sec
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-Waiting for     0.0614 sec
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@@ -1193,18 +1151,20 @@ Waiting for     0.0000 sec
 Waiting for     0.0000 sec
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+Waiting for     0.1023 sec
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+Waiting for     0.0002 sec
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+Waiting for     0.1006 sec
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-Waiting for     0.1678 sec
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 Waiting for     0.0000 sec
@@ -1213,10 +1173,11 @@ Waiting for     0.0000 sec
 Waiting for     0.0000 sec
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 Waiting for     0.0000 sec
+Waiting for     0.0002 sec
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-Waiting for     0.0232 sec
+Waiting for     0.1199 sec
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@@ -1225,8 +1186,8 @@ Waiting for     0.0000 sec
 Waiting for     0.0000 sec
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 Waiting for     0.0000 sec
+Waiting for     0.0791 sec
 Waiting for     0.0000 sec
-Waiting for     0.0925 sec
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 Waiting for     0.0000 sec
 Waiting for     0.0000 sec
@@ -1237,10 +1198,9 @@ Waiting for     0.0000 sec
 Waiting for     0.0000 sec
 Waiting for     0.0000 sec
 Waiting for     0.0000 sec
+Waiting for     0.0953 sec
 Waiting for     0.0000 sec
 Waiting for     0.0000 sec
-Waiting for     0.0039 sec
-Waiting for     0.1620 sec
 Waiting for     0.0000 sec
 Waiting for     0.0000 sec
 Waiting for     0.0000 sec
@@ -1249,18 +1209,18 @@ Waiting for     0.0000 sec
 Waiting for     0.0000 sec
 Waiting for     0.0000 sec
 Waiting for     0.0000 sec
+Waiting for     0.0405 sec
 Waiting for     0.0000 sec
 Waiting for     0.0000 sec
 Waiting for     0.0000 sec
 Waiting for     0.0000 sec
 Waiting for     0.0000 sec
-Waiting for     0.0887 sec
-Waiting for     0.0001 sec
 Waiting for     0.0000 sec
 Waiting for     0.0000 sec
 Waiting for     0.0000 sec
 Waiting for     0.0000 sec
 Waiting for     0.0000 sec
+Waiting for     0.0641 sec
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 Waiting for     0.0000 sec
 Waiting for     0.0000 sec
@@ -1270,51 +1230,51 @@ Waiting for     0.0000 sec
 Waiting for     0.0000 sec
 Waiting for     0.0000 sec
 Waiting for     0.0000 sec
-Waiting for     0.0723 sec
 Waiting for     0.0000 sec
 Waiting for     0.0002 sec
 Waiting for     0.0000 sec
+Waiting for     0.0901 sec
 Waiting for     0.0000 sec
 Waiting for     0.0000 sec
 Waiting for     0.0000 sec
 Waiting for     0.0000 sec
 Waiting for     0.0000 sec
 Waiting for     0.0000 sec
-Waiting for     0.0407 sec
 Waiting for     0.0000 sec
 Waiting for     0.0000 sec
 Waiting for     0.0000 sec
 Waiting for     0.0000 sec
 Waiting for     0.0000 sec
+Waiting for     0.0943 sec
 Waiting for     0.0000 sec
+Waiting for     0.0001 sec
 Waiting for     0.0000 sec
 Waiting for     0.0000 sec
 Waiting for     0.0000 sec
-Waiting for     0.0922 sec
 Waiting for     0.0000 sec
 Waiting for     0.0000 sec
 Waiting for     0.0000 sec
 Waiting for     0.0000 sec
 Waiting for     0.0000 sec
 Waiting for     0.0000 sec
+Waiting for     0.0917 sec
 Waiting for     0.0000 sec
+Waiting for     0.0001 sec
 Waiting for     0.0000 sec
 Waiting for     0.0000 sec
 Waiting for     0.0000 sec
 Waiting for     0.0000 sec
 Waiting for     0.0000 sec
 Waiting for     0.0000 sec
-Waiting for     0.0475 sec
 Waiting for     0.0000 sec
 Waiting for     0.0000 sec
 Waiting for     0.0000 sec
 Waiting for     0.0000 sec
 Waiting for     0.0000 sec
-Waiting for     0.0001 sec
-Waiting for     0.0000 sec
-Waiting for     0.0453 sec
+Waiting for     0.0814 sec
 Waiting for     0.0000 sec
 Waiting for     0.0000 sec
+Waiting for     0.0001 sec
 Waiting for     0.0000 sec
 Waiting for     0.0000 sec
 Waiting for     0.0000 sec
@@ -1322,17 +1282,16 @@ Waiting for     0.0000 sec
 Waiting for     0.0000 sec
 Waiting for     0.0000 sec
 Waiting for     0.0000 sec
-Waiting for     0.0002 sec
+Waiting for     0.0227 sec
 Waiting for     0.0000 sec
 Waiting for     0.0000 sec
 Waiting for     0.0000 sec
 Waiting for     0.0000 sec
 Waiting for     0.0000 sec
 Waiting for     0.0000 sec
-Waiting for     0.0001 sec
 Waiting for     0.0000 sec
-Waiting for     0.1385 sec
+Waiting for     0.0566 sec
  Finishing minim_jlee - signal           0  from master
- End of minim, proc           3 time    1417783922.9682851     
+ End of minim, proc           3 time    1417786241.3893321     
 CG processor   3 is finishing work.
- Total wall clock time   108.86654400825500       sec
+ Total wall clock time   97.898352861404419       sec