X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=examples%2Funres%2Fnew%2FMD%2Fwith_constrains%2FBerendsen%2Fff_gab%2F1L2Y_MD.inp;fp=examples%2Funres%2Fnew%2FMD%2Fwith_constrains%2FBerendsen%2Fff_gab%2F1L2Y_MD.inp;h=0000000000000000000000000000000000000000;hb=fe9e3a2f1191191edd529c64aba73f2b98723a47;hp=1df3a5c09931963ed23c3a1cff463398df0a2741;hpb=c89d7d207940ebb57e0042cb35ab65d0f8a4b55e;p=unres.git

diff --git a/examples/unres/new/MD/with_constrains/Berendsen/ff_gab/1L2Y_MD.inp b/examples/unres/new/MD/with_constrains/Berendsen/ff_gab/1L2Y_MD.inp
deleted file mode 100644
index 1df3a5c..0000000
--- a/examples/unres/new/MD/with_constrains/Berendsen/ff_gab/1L2Y_MD.inp
+++ /dev/null
@@ -1,13 +0,0 @@
-1L2Y simulation with restrains in ff_gab MD simulation
-SEED=-3059743 PDBREF MD PDBSTART RESCALE_MODE=2 CONSTR_DIST=3
-nstep=1000000 ntwe=10000 ntwx=10000 dt=0.20 damax=10.0 lang=0 tbf              &
-tau_bath=1.0 t_bath=300 reset_vel=10000 respa ntime_split=1 maxtime_split=512
-WLONG=1.35279 WSCP=1.59304 WELEC=0.71534 WBOND=1.00000 WANG=1.13873            &
-WSCLOC=0.16258 WTOR=1.98599 WTORD=1.57069 WCORRH=0.42887 WCORR5=0.00000        &
-WCORR6=0.00000 WEL_LOC=0.16036 WTURN3=1.68722 WTURN4=0.66230 WTURN6=0.00000    &
-WVDWPP=0.11371 WHPB=1.00000                                                    &
-CUTOFF=7.00000 WCORR4=0.00000 WSCCOR=0.0
-../../../../1L2Y.pdb
- 0
- 0
-NFRAG=1 IFRAG=2 10 WFRAG=0.05
\ No newline at end of file