Merge branch 'devel' into feature-ga

[unres.git] / examples / unres / MD / ff_gab / ala10-cx.inp

diff --git a/examples/unres/MD/ff_gab/ala10-cx.inp b/examples/unres/MD/ff_gab/ala10-cx.inp
new file mode 100644 (file)
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
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+   90.0000   90.0000
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+  180.0000
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+  110.0000  110.0000
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+ -120.0000 -120.0000