X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;ds=inline;f=source%2Funres%2Fsrc_MD-M%2Freadpdb.F;fp=source%2Funres%2Fsrc_MD-M%2Freadpdb.F;h=3caff57720b1a5aae3dcf2cc4125013549aaf5a3;hb=d101c97dea752458d76055fdbae49c26fff03c1f;hp=2026425f5dea0f2e2c6835f4197f17b69fa377d7;hpb=325eda160c9ad2982501e091ca40606a29043712;p=unres.git diff --git a/source/unres/src_MD-M/readpdb.F b/source/unres/src_MD-M/readpdb.F index 2026425..3caff57 100644 --- a/source/unres/src_MD-M/readpdb.F +++ b/source/unres/src_MD-M/readpdb.F @@ -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