X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD%2Fint_to_cart.f;h=6d0fb1bf63d2100e43e7424eaf9c9b17ea6ea294;hb=34d3ad3987785642be58fb2f26557d3314215577;hp=73e83846e1addea0cc54521386f928bea071ab78;hpb=f690e8b70bab14132839afebf080d4a28363b226;p=unres.git diff --git a/source/unres/src_MD/int_to_cart.f b/source/unres/src_MD/int_to_cart.f index 73e8384..6d0fb1b 100644 --- a/source/unres/src_MD/int_to_cart.f +++ b/source/unres/src_MD/int_to_cart.f @@ -129,6 +129,15 @@ c do i=1,nres c gloc(i,icg)=0.0D0 c write (iout,*) "poczotkoawy",i,gloc_sc(1,i,icg) c enddo +c write (iout,*) "dtauangle" +c do i=1,nres +c write (iout,*) i +c do j=1,3 +c do k=1,3 +c write (iout,*) (dtauangle(l,k,j,i),l=1,3) +c enddo +c enddo +c enddo if (nres.lt.2) return if ((nres.lt.3).and.(itype(1).eq.10)) return if ((itype(1).ne.10).and.(itype(1).ne.21)) then