X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=examples%2Funres%2FMD%2Fff_1l2y_1le1%2FMD%2FBER%2F1L2Y_ber.inp;fp=examples%2Funres%2FMD%2Fff_1l2y_1le1%2FMD%2FBER%2F1L2Y_ber.inp;h=0000000000000000000000000000000000000000;hp=88b62d633b98c58b87031974dc21ec2070156ef4;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30

diff --git a/examples/unres/MD/ff_1l2y_1le1/MD/BER/1L2Y_ber.inp b/examples/unres/MD/ff_1l2y_1le1/MD/BER/1L2Y_ber.inp
deleted file mode 100644
index 88b62d6..0000000
--- a/examples/unres/MD/ff_1l2y_1le1/MD/BER/1L2Y_ber.inp
+++ /dev/null
@@ -1,27 +0,0 @@
-1L2Y
-SEED=-3059743 PDBREF MD
-nstep=1000000 ntwe=100 ntwx=10000 dt=0.10 damax=10000.0 lang=0 tbf tau_bath=1.0&
-t_bath=300
-WLONG=1.00000 WSCP=1.23315 WELEC=0.84476 WBOND=1.00000 WANG=0.62954            &
-WSCLOC=0.10554 WTOR=1.84316 WTORD=1.26571 WCORRH=0.19212 WCORR5=0.00000        &
-WCORR6=0.00000 WEL_LOC=0.37357 WTURN3=1.40323 WTURN4=0.64673 WTURN6=0.00000    &
-WVDWPP=0.23173 WHPB=1.00000 WSCCOR=0.0                                         &
-CUTOFF=7.00000 WCORR4=0.00000
-1L2Y.pdb
-22
- D   ASN LEU TYR ILE GLN TRP LEU LYS ASP GLY GLY PRO SER SER GLY ARG PRO PRO PRO
- SER D  
- 0
- 0
-  104.9286   87.6954   81.9040   82.4664   84.4658   83.9446   85.3958   91.4490
-   94.6016  101.8618  119.3634   94.3628   96.2641  138.1186   96.2995  129.7022
-  109.4446  106.3486  106.0416  108.7182
- -100.4302   72.4264   66.0265   51.4337   53.5083   60.5686   44.1766   67.6037
-  -72.8136  -61.9155  -75.8939   67.3579  129.7011  -95.5708   63.9717  -74.5043
- -122.3059 -134.6048   92.1133
-  102.3561  120.0919  152.3636  134.9756  122.3426  152.1780  159.0518  100.5580
-  139.9612    0.0000    0.0000  117.4525  137.0250  146.2899    0.0000   93.9014
-  101.0251  113.0432   93.7775  153.8351
-  -82.3166  -56.6854   85.0901  -88.6662 -140.9453   38.0240  179.4707  -73.0903
- -144.7967    0.0000    0.0000 -133.1635 -106.6593 -130.3055    0.0000 -102.7467
- -111.6412 -122.0445 -102.3738 -143.3033