Old force fields removed, new ones (GAB, E0LL2Y) added.

[unres.git] / examples / unres / CSA / ALPHA / ENERGY / T0102.inp

diff --git a/examples/unres/CSA/ALPHA/ENERGY/T0102.inp b/examples/unres/CSA/ALPHA/ENERGY/T0102.inp
deleted file mode 100644 (file)
index ba36fc2..0000000
--- a/examples/unres/CSA/ALPHA/ENERGY/T0102.inp
+++ /dev/null
@@ -1,48 +0,0 @@
-T0102 - alpha ff  -5.625825E+02 min -5.626615E+02
-SEED=-3059743 MINIMIZE ONE_LETTER PDBOUT OVERLAP
-MAXMIN=2000 MAXFUN=5000
-WSC=1.00000 WSCP=0.72364 WELEC=1.10890 WANG=0.68702 WSCLOC=1.79888             &
-WTOR=0.30562 WCORRH=1.09616 WCORR5=0.17452 WCORR6=0.36878 WEL_LOC=0.19508      &
-WTURN3=0.00000 WTURN4=0.55588 WTURN6=0.11539 CUTOFF=7.00000 WCORR4=0.0000      &
-WTORD=0.0
-72 
-XGKRAVIAWMAKEFGIPAAVAGTVLNVVEAGGWVTTIVSILTAVGSGGLSLLAAAGRESIKAYLKKEIKKKX 
-0
-0
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-   92.2143   92.2132   93.1927   94.3814  128.7328   95.4412   93.1081   92.2956
-   92.3760   92.5522   93.2302   92.7783   92.0584   93.5044   93.8742   93.7429
-   91.7497   93.1374   93.7887   92.9995   92.5856  126.7104   96.3561  122.6831
-   94.1213   94.0116   93.2156   89.8046   93.0429   92.4511   93.4129   91.2283
-   93.6866   92.8171   94.4624  148.9500   96.3503   96.5974   95.0966   94.2348
-   94.7675   93.2257   92.9524   92.7169   92.7687   92.9562  140.3208   93.4027
-   93.3196   92.0628   89.5861   92.2631   92.4117   91.5585   92.5388   93.1513
-   92.7672   93.0530   90.2789   93.3232   94.0804   94.1953
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-   42.8978   44.2167   38.0660   13.7393 -147.7435   67.5837   73.9504   54.6311
-   33.7861   38.7969  114.6311   52.6097   35.7812   39.8920   36.3987   37.7509
-   35.5304   40.2257   46.2486   59.6797   67.4874 -110.7135   61.1270  149.6987
-   50.5858   30.8975   43.5816   44.3280   41.9367   30.6594   41.3302   38.0598
-   41.5108   65.4687 -173.1104   -0.0164   25.6883   39.4266   42.6224   33.0021
-   33.2069   41.8413   35.2564   40.4655   39.4432  160.3716   31.0935   40.6003
-   36.3292   45.7679   42.6077   36.2837   42.8419   39.3082   37.2278   41.8078
-   43.2099   49.9678   45.5710   50.2780   61.7684
-    0.0000  139.4823  138.6240  129.4604  142.1462  140.6650  129.3768  119.1758
-  138.1396  129.3824  137.7247  129.5360  157.4375    0.0000  136.1928  100.5332
-  129.4472  129.4678  142.4114  129.5395    0.0000  141.6733  142.1996  149.6696
-  142.1179  141.4060  142.1734  132.9692  129.4717    0.0000    0.0000  157.9780
-  143.0076  141.8598  141.9840  136.7432  142.2757  115.6102  141.7618  143.0282
-  141.5587  129.6901  142.9064    0.0000  116.6698    0.0000    0.0000  146.0425
-  116.1774  144.9436  144.8590  129.4191  129.3532  129.6006    0.0000  134.6665
-  132.4741  115.8524  141.6369  137.6522  129.3544  136.7126  146.2889  139.6697
-  136.7287  128.9595  139.4652  136.2245  136.6428  139.0508
-    0.0000  -79.9786 -103.4451  -76.2559  -73.0747  -91.2947  -76.2452  -40.0338
-  -92.0627  -76.2607 -100.3012  -91.4178  171.3875    0.0000  -85.9887 -110.1443
-  -76.3184  -76.2446  -73.8869  -76.3343    0.0000  -73.9758  -73.4371 -123.8244
- -131.7734  -73.0912  -74.8732  -91.7654  -76.2938    0.0000    0.0000  149.2348
-  -73.8577  -74.4020  -73.8904  -82.9861  -74.6064  -76.4850  -86.6154  -47.6254
-  -74.3754  -76.3329  -74.0382    0.0000  -76.6763    0.0000    0.0000  -41.4836
-  -76.0836  -39.4911  -43.5633  -76.1901  -76.2020  -76.4309    0.0000  160.3273
-  -90.9580  -75.8461  -87.6443 -111.7713  -76.1557 -133.0581  -41.1958  -89.0618
-  -92.9080 -103.0491  -83.1578  -92.5316  -90.3978  -99.3025
-