Merge branch 'devel' of mmka.chem.univ.gda.pl:unres into devel

[unres.git] / examples / unres / new / MD / Nose_Hoover / ff_1l2y / fort.2

diff --git a/examples/unres/new/MD/Nose_Hoover/ff_1l2y/fort.2 b/examples/unres/new/MD/Nose_Hoover/ff_1l2y/fort.2
deleted file mode 100644 (file)
index 2130bb6..0000000
--- a/examples/unres/new/MD/Nose_Hoover/ff_1l2y/fort.2
+++ /dev/null
@@ -1,26 +0,0 @@
- Start reading THETA_PDB
- End reading THETA_PDB
-Nose-Hoover bath calculation
-Mol.Phys. 87 1117 (1996) Martyna et al.
-NVT-XI-RESPA algorithm
-                                                Temperature: 300.00000
-                                                         Q =   1.00000
-====================MD calculation start====================
- H0=    209.551133736249     
-
-
-===================================  Timing  ===================================
-
-                  MD calculations setup:    6.05469E-01
-           Energy & gradient evaluation:    3.72738E+02
-                    Stochastic MD setup:    0.00000E+00
-               Stochastic MD step setup:    0.00000E+00
-                               MD steps:    4.18871E+02
-
-
-============================  End of MD calculation  ===========================
-setup:    0.00000E+00
-                               MD steps:    4.14324E+02
-
-
-============================  End of MD calculation  ===========================