zmiany w Cmake i dodanie sprawdzenia gradientu

[unres.git] / source / unres / src_MD-M / MD_A-MTS.F

diff --git a/source/unres/src_MD-M/MD_A-MTS.F b/source/unres/src_MD-M/MD_A-MTS.F
index 1144934..e0c1cfb 100644 (file)
--- a/source/unres/src_MD-M/MD_A-MTS.F
+++ b/source/unres/src_MD-M/MD_A-MTS.F
@@ -232,6 +232,7 @@ c Variable time step algorithm.
         if (mod(itime,ntwx).eq.0) then
           write (tytul,'("time",f8.2)') totT
           if(mdpdb) then
+          call check_ecartint
              call hairpin(.true.,nharp,iharp)
              call secondary2(.true.)
              call pdbout(potE,tytul,ipdb)