X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2FMCM_MD.F90;h=eb07d69dc21c7be61d53ef0262c6955a921a7cbb;hb=545cf9507d923cdf917d80ed079c753702c68840;hp=657f0826ff89e6072a0bb62a1b0056b57306eb64;hpb=df2469d9ac903d93889867f4e50e9bf6c428c1c6;p=unres4.git diff --git a/source/unres/MCM_MD.F90 b/source/unres/MCM_MD.F90 index 657f082..eb07d69 100644 --- a/source/unres/MCM_MD.F90 +++ b/source/unres/MCM_MD.F90 @@ -3063,7 +3063,7 @@ do i=1,nside_move ii=ind_side(i) iti=itype(ii,1) - call gen_side(iti,theta(ii+1),alph(ii),omeg(ii),fail) + call gen_side(iti,theta(ii+1),alph(ii),omeg(ii),fail,1) if (fail) then isctry=isctry+1 if (isctry.gt.1000) then @@ -3084,7 +3084,7 @@ ! THETA move 400 end_select=iran_num(3,nres) theta_new=gen_theta(itype(end_select,1),phi(end_select),& - phi(end_select+1)) + phi(end_select+1),1) if (print_mc.gt.1) write (iout,'(a,i3,a,f8.3,a,f8.3)') & 'Theta ',end_select,' moved from',theta(end_select)*rad2deg,& ' to ',theta_new*rad2deg