X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2FMD_A-MTS.F;h=e0c1cfb3070c751a19bc7645b9f4f20d5eaf4d37;hb=22cd5a3c3c583f883079b2b3f984900dfd313b26;hp=1144934dc4726bcf9c30919f9fcf61fb0a50d312;hpb=7dcaf96e49cd62f1d1f429d1ceaf7c872e613488;p=unres.git 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 --- 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)