Merge branch 'prerelease-3.2.1' into czarek

[unres.git] / examples / unres / new / microcanonical / RESPA / ff_1l2y / fort.2

diff --git a/examples/unres/new/microcanonical/RESPA/ff_1l2y/fort.2 b/examples/unres/new/microcanonical/RESPA/ff_1l2y/fort.2
deleted file mode 100644 (file)
index 313d869..0000000
--- a/examples/unres/new/microcanonical/RESPA/ff_1l2y/fort.2
+++ /dev/null
@@ -1,63 +0,0 @@
- Start reading THETA_PDB
- End reading THETA_PDB
-====================MD calculation start====================
-
-
-===================================  Timing  ===================================
-
-                  MD calculations setup:    7.81250E-03
-           Energy & g
-
-===================================  Timing  ===================================
-
-                  MD calculations setup:    3.90625E-03
-           Energy & g
-
-===================================  Timing  ===================================
-
-                  MD calculations setup:    7.81250E-03
-           Energy & gradient evaluation:    3.65191E+02
-                    Stochastic MD setup:    0.00000E+00
-               Stochastic MD step setup:    0.00000E+00
-                               MD steps:    4.01066E+02
-
-
-============================  End of MD calculation  ===========================
-      230756 
-  itsplit           2
- acceleration/energy drift too large   27.4977072988832     
-   1.36546838457155       split increased to            2  itime      230758 
-  itsplit           1
- acceleration/energy drift too large   20.9670146447007     
-   1.19828492589849       split increased to            2  itime      230876 
-  itsplit           1
- acceleration/energy drift too large   27.4818724358927     
-   7.71268807283015       split increased to            4  itime      230876 
-  itsplit           1
- acceleration/energy drift too large   219.704403430905     
-   196.269478505049       split increased to            2  itime      943693 
-  itsplit           1
- acceleration/energy drift too large   40.5667695249424     
-   27.1971132730472       split increased to            4  itime      943693 
-  itsplit           2
- acceleration/energy drift too large   51.2152914615204     
-   168.176213436668       split increased to            8  itime      943693 
-  itsplit           3
- acceleration/energy drift too large   11.2385501576524     
-   32.1329204859029       split increased to           16  itime      943693 
-  itsplit           6
- acceleration/energy drift too large   3.92508751151368     
-   15.6879080766113       split increased to           32  itime      943693 
-  itsplit          11
-
-
-===================================  Timing  ===================================
-
-                  MD calculations setup:    7.81250E-03
-           Energy & gradient evaluation:    3.65598E+02
-                    Stochastic MD setup:    0.00000E+00
-               Stochastic MD step setup:    0.00000E+00
-                               MD steps:    4.01039E+02
-
-
-============================  End of MD calculation  ===========================