X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=examples%2Funres%2FMD%2Fff_gab%2Fala10-cx.inp;fp=examples%2Funres%2FMD%2Fff_gab%2Fala10-cx.inp;h=41ef785126870d7c29ed5589a2ccfc4045ded77f;hb=1bbb46aa9f4b7d3af09839b0148bb6a74cb2f077;hp=0000000000000000000000000000000000000000;hpb=aa9c2c2c467251bf1d41c70030a19178683c19f5;p=unres.git

diff --git a/examples/unres/MD/ff_gab/ala10-cx.inp b/examples/unres/MD/ff_gab/ala10-cx.inp
new file mode 100644
index 0000000..41ef785
--- /dev/null
+++ b/examples/unres/MD/ff_gab/ala10-cx.inp
@@ -0,0 +1,21 @@
+ala10 unblocked
+SEED=-1111333 MD ONE_LETTER rescale_mode=2
+nstep=10000 ntwe=100 ntwx=1000 dt=0.1 lang=0 tbf t_bath=300 damax=1.0          &
+reset_moment=1000 reset_vel=1000
+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
+12
+XAAAAAAAAAAX 
+ 0
+ 0
+   90.0000   90.0000   90.0000  90.000   90.000   90.000   90.000   90.000 
+   90.0000   90.0000
+  180.0000  180.0000  180.0000 180.000  180.000  180.000  180.000  180.000
+  180.0000
+  110.0000  110.0000  110.0000 100.000  110.000  100.000  110.000  110.000 
+  110.0000  110.0000
+ -120.0000 -120.0000 -120.000 -120.000 -120.000 -120.000 -120.000 -120.000
+ -120.0000 -120.0000