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

[unres.git] / examples / unres / CSA / 3P / ENERGY / IGD_3P7_iter81_1_i1.inp

diff --git a/examples/unres/CSA/3P/ENERGY/IGD_3P7_iter81_1_i1.inp b/examples/unres/CSA/3P/ENERGY/IGD_3P7_iter81_1_i1.inp
deleted file mode 100644 (file)
index afbb5ef..0000000
--- a/examples/unres/CSA/3P/ENERGY/IGD_3P7_iter81_1_i1.inp
+++ /dev/null
@@ -1,47 +0,0 @@
-1IGD 3P ff -745.355
-SEED=-540861 MINIMIZE PDBOUT
-MAXMIN=2000 MAXFUN=5000
-WSC=1.00000 WSCP=2.85111 WELEC=0.36281 WANG=3.95152 WSCLOC=0.15244             &
-WTOR=3.00008 WTORD=2.89863 WCORRH=1.91423 WCORR5=0.00000 WCORR6=0.00000        &
-WEL_LOC=1.72128 WTURN3=2.99827 WTURN4=0.59174 WTURN6=0.00000                   &
-CUTOFF=7.00000 WCORR4=0.00000
-63
- D   MET THR PRO ALA VAL THR THR TYR LYS LEU VAL ILE ASN GLY LYS THR LEU LYS GLY
- GLU THR THR THR LYS ALA VAL ASP ALA GLU THR ALA GLU LYS ALA PHE LYS GLN TYR ALA
- ASN ASP ASN GLY VAL ASP GLY VAL TRP THR TYR ASP ASP ALA THR LYS THR PHE THR VAL
- THR GLU D
- 0
- 0
-   91.5691  123.9443  116.8718  128.5291  128.8109  124.0297  128.2019  125.6578
-  116.6658  120.6789  123.2206  125.9487  101.4200   98.1000   93.7880  118.7542
-  125.8949  131.0225  127.8653  124.8539  127.6847  124.7518  130.4660  119.3259
-   91.4840   91.8893   91.3004   91.2338   92.7457   94.1934   91.3018   91.6823
-   92.0688   90.9691   92.1239   91.6566   91.9334   93.2595   91.4555   94.8001
-   91.7445   91.7133   93.4465  123.9507  112.3122   95.6159  128.2613  126.1904
-  124.1755  132.9224   93.7483  108.1926   91.9471   94.8827   92.5237  113.9997
-  126.6967  129.8862  124.4196  128.1078  118.5641
-   60.8320  -82.6927 -130.0369 -123.7016 -160.4244 -149.6158 -158.3939 -134.4222
-    3.7724 -143.2955 -153.6126 -164.1112  -64.4914  -16.4998   91.7050 -140.8873
- -171.7647  -95.3525  -25.2461 -142.8114 -160.4711 -173.4613 -131.0508 -110.7073
-   41.8672   42.7665   52.4939   45.0091   32.5830   45.0009   48.8531   41.0824
-   39.7799   57.1326   48.3519   51.9301   54.9344  110.7748   50.6709  115.3126
-  -36.8640  -55.4761   15.6935  -99.0754  -73.2576   40.9775 -159.2349 -162.9854
- -139.8020 -159.1217    2.1956  -67.5450  -23.1324  109.1432    6.4861 -154.3506
- -171.8893 -125.7293 -157.1694 -109.5465
-  136.0905  132.9301  102.4292  145.7127  144.2919  130.6386  146.7631  152.3555
-  136.5814  164.7249  165.4259  166.3776  164.1354  159.9103  113.1574  142.4377
-  163.3536  147.5700  106.5554  143.9832  136.5533  139.7310  162.2524  167.0753
-  129.8188  144.0544  139.1548  127.3543  109.3395  143.8028  127.3577  150.5448
-  145.8064  127.8602  133.9221  113.1251  124.0626  119.2566  126.1166  131.4234
-  158.3644  159.0507  143.3887  103.5269   94.1219    0.0000  174.2589  157.6876
-  137.2117  155.7690  156.2214  148.4412  130.1974  112.7239  121.4928  168.7850
-  168.8058  176.5021  163.8174  148.1390  138.3617
-  -75.8019  -91.3892  -71.7135  -94.2226  -82.8147  -58.2805  -96.3003  170.8733
-   41.3955  -15.6460  -78.9923  -91.5653  -35.4892  150.4426   73.9080  -88.2008
- -168.4420 -114.3960 -124.7392   16.3987  -28.8480 -105.8300  167.8689  130.2043
-  -77.1615  -78.2126 -147.7078  -75.6266  -52.6328  -75.0760  -76.8799 -134.1113
- -138.0613  -75.7902  -97.0997   99.5535 -101.2627  -80.9669  -74.5694 -153.9886
-   -7.9271  -39.4002   71.6454  -66.6231  -67.9258    0.0000  -38.5915   63.6428
-  -96.5570 -172.4552   -4.3382  -11.7575  -76.6471 -125.3859   95.7722  -50.5404
- -178.3316  -68.4297 -139.5822  101.3227 -154.5328
-