X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2Freadpdb.F;h=71daf6f61d28d75727a56878a9ee7a74efe6deec;hb=294e17e0754856766b19c5296e6f20d2bfab579f;hp=f2daaddb90a8887c232c7997d2ef3877cd4f5f5d;hpb=7675ab8ec26554f2fd3f2e7e427b177254872a45;p=unres.git diff --git a/source/unres/src_MD-M/readpdb.F b/source/unres/src_MD-M/readpdb.F index f2daadd..71daf6f 100644 --- a/source/unres/src_MD-M/readpdb.F +++ b/source/unres/src_MD-M/readpdb.F @@ -199,6 +199,7 @@ C Calculate internal coordinates. & (c(j,nres+ires),j=1,3) enddo endif +C print *,"before int_from_cart" call int_from_cart(.true.,.false.) call sc_loc_geom(.true.) do i=1,nres @@ -390,6 +391,7 @@ c vbld(nres)=3.8d0 c vbld_inv(nres)=1.0d0/vbld(2) c endif c endif + print *,"A TU2" if (lside) then do i=2,nres-1 do j=1,3