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Merge branch 'prerelease-3.2.1' into czarek
[unres.git]
/
examples
/
unres
/
new
/
microcanonical
/
VTS
/
ff_gab
/
fort.2
diff --git
a/examples/unres/new/microcanonical/VTS/ff_gab/fort.2
b/examples/unres/new/microcanonical/VTS/ff_gab/fort.2
index
f486b2a
..
9efd00f
100644
(file)
--- a/
examples/unres/new/microcanonical/VTS/ff_gab/fort.2
+++ b/
examples/unres/new/microcanonical/VTS/ff_gab/fort.2
@@
-3,11
+3,11
@@
=================================== Timing ===================================
=================================== Timing ===================================
- MD calculations setup: 1.95312E-02
- Energy & gradient evaluation: 2.52324E+02
+ MD calculations setup: 3.90625E-03
+ Energy & gradient evaluation: 2.66504E+02
Stochastic MD setup: 0.00000E+00
Stochastic MD step setup: 0.00000E+00
Stochastic MD setup: 0.00000E+00
Stochastic MD step setup: 0.00000E+00
- MD steps: 2.78785E+02
+ MD steps: 2.98812E+02
============================ End of MD calculation ===========================
============================ End of MD calculation ===========================