X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2Freadpdb.F;h=7aa8fd41b9d593a5b850536c668bbcb9568f9252;hb=9ab6a6c94ffa93357b777d7a01615bc2cb964622;hp=2026425f5dea0f2e2c6835f4197f17b69fa377d7;hpb=a80d9d228016ea14a30be2c7ef9a952e3ef86869;p=unres.git diff --git a/source/unres/src_MD-M/readpdb.F b/source/unres/src_MD-M/readpdb.F index 2026425..7aa8fd4 100644 --- a/source/unres/src_MD-M/readpdb.F +++ b/source/unres/src_MD-M/readpdb.F @@ -17,7 +17,7 @@ C geometry. character*80 card dimension sccor(3,20) double precision e1(3),e2(3),e3(3) - integer rescode,iterter(maxres) + integer rescode,iterter(maxres),cou logical fail do i=1,maxres iterter(i)=0 @@ -246,6 +246,7 @@ 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 @@ -436,6 +437,7 @@ 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