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zmiany po usunieciu diagnostyki...
[unres.git]
/
examples
/
unres
/
MD
/
ff_gab
/
1L2Y_minim.inp
diff --git
a/examples/unres/MD/ff_gab/1L2Y_minim.inp
b/examples/unres/MD/ff_gab/1L2Y_minim.inp
index
286b667
..
b6e6e25
100644
(file)
--- a/
examples/unres/MD/ff_gab/1L2Y_minim.inp
+++ b/
examples/unres/MD/ff_gab/1L2Y_minim.inp
@@
-1,5
+1,5
@@
1L2Y
-SEED=-3059743 PDBREF MINIMIZE
+SEED=-3059743 PDBREF ENE
maxmin=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 &