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

[unres.git] / examples / unres / CSA / CASP3 / ENERGY / protA.inp

diff --git a/examples/unres/CSA/CASP3/ENERGY/protA.inp b/examples/unres/CSA/CASP3/ENERGY/protA.inp
deleted file mode 100644 (file)
index 9d05040..0000000
--- a/examples/unres/CSA/CASP3/ENERGY/protA.inp
+++ /dev/null
@@ -1,36 +0,0 @@
-CASP3 ff protein A -144.87053 min -144.8800
-SEED=-3059743 MINIMIZE PDBOUT
-MAXMIN=2000 MAXFUN=5000
-WSCC=1.00000 WSCP=1.00000 WELEC=1.50000 WTOR=0.08617 WANG=0.103840             &
-WSCLOC=0.103840 WCORRH=1.50000 WCORR5=0.0 WCORR6=0.0 WTORD=0.0                 &
-WEL_LOC=0.0 WTURN3=0.0 WTURN4=0.0 WTURN6=0.0 CUTOFF=7.00
-48
- D   GLN GLN ASN ALA PHE TYR GLU ILE LEU HIS LEU PRO ASN LEU ASN GLU GLU GLN ARG
- ASN GLY PHE ILE GLN SER LEU LYS ASP ASP PRO SER GLN SER ALA ASN LEU LEU ALA GLU
- ALA LYS LYS LEU ASN ASP ALA D   
- 0
- 0
-   92.4224   94.6537   95.3943   92.4680   91.9900   90.1421   88.9633   89.8612
-   89.5043   85.1773   90.5288   90.6618   94.6937   93.9959   98.2648   92.3296
-   91.2300   91.8992   93.7665   93.2736   95.6000   94.7532   90.8285   87.7009
-   86.6353   90.4532   90.8787   92.4998  100.2214   92.9588   93.2514   92.6217
-   94.5199   93.7274   94.3486   92.0404   88.1206   89.5695   89.9338   89.7286
-   90.3532   89.4736   89.3388   87.8626   92.0807   92.5683
-  102.6627   51.3883   38.7889   45.5381   45.1670   46.9659   49.4565   43.6683
-   57.0882   63.1621  149.4009   77.9785   90.4594  -57.8118 -145.4313   56.2675
-   46.9993   39.8350   49.7968   40.3219   36.8923   43.2217   53.9481   53.1410
-   52.5441   49.2307   45.1466   39.5257  170.4107   62.8076   52.1595  122.2457
-   54.7002   44.3682   36.9118   51.7562   51.3155   41.7014   47.7962   49.1309
-   45.9103   45.6531   63.9311   49.2977   98.9343
-  125.2306  164.9792  107.6806  127.4970  124.2803  151.4265  115.3580  133.6661
-  138.5855   77.9337  123.1307  104.0102   98.7953  139.7907  152.5197  124.3639
-  139.1875  120.0419  176.5149  142.6306    0.0000  108.1842  166.2787  101.2541
-  104.1112  112.3936  143.2431  142.2510  110.7892  100.9039  113.3361   91.4100
-  113.3365  129.0213  111.7544  152.7072  158.8155  128.1365  122.1431  130.4135
-  141.1266  127.6890  139.3466  121.8858  101.9802  128.5926
- -56.7711 -160.4554  -80.2783  -73.9105  -26.8550    6.7539  -61.7324 -101.6820
-  140.1279 -100.2847  -73.5251 -119.4567  -83.7295  -40.4419  -41.9103  118.8055
-  -83.1837  -64.7636 -160.3472 -151.4119    0.0000  -87.5888  169.8919 -148.4770
-  -73.5729  -13.3662 -110.2894 -129.9442  -86.5558 -129.0330  -78.5250  -27.1457
-  -72.4397  -76.1110  -82.1437  -19.9603 -159.6165  -76.5785  -39.4548  -77.1004
- -141.2728  -40.5575  -92.3464 -134.1509  -80.7362  -76.9463