X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc%2Freadrtns.F;fp=source%2Fwham%2Fsrc%2Freadrtns.F;h=eb7e462ebe30e12077abeea8b3ea0923ab04de46;hb=0a11a2c4ccee14ed99ae44f2565b270ba8d4bbb6;hp=21a484e9c2be1d5939bcd42c4302ff03bb691143;hpb=5eb407964903815242c59de10960f42761139e10;p=unres.git diff --git a/source/wham/src/readrtns.F b/source/wham/src/readrtns.F index 21a484e..eb7e462 100644 --- a/source/wham/src/readrtns.F +++ b/source/wham/src/readrtns.F @@ -70,6 +70,9 @@ call reada(controlcard,"DELTA",delta,1.0d-2) call readi(controlcard,"EINICHECK",einicheck,2) call reada(controlcard,"DELTRMS",deltrms,5.0d-2) + call readi(controlcard,"NGRIDT",NGridT,400) + call reada(controlcard,"STARTGRIDT",StartGridT,200.0d0) + call reada(controlcard,"DELTA_T",Delta_T,1.0d0) call reada(controlcard,"DELTRGY",deltrgy,5.0d-2) call readi(controlcard,"RESCALE",rescale_mode,1) check_conf=index(controlcard,"NO_CHECK_CONF").eq.0 @@ -86,7 +89,10 @@ entfile=index(controlcard,"ENTFILE").gt.0 zscfile=index(controlcard,"ZSCFILE").gt.0 with_dihed_constr = index(controlcard,"WITH_DIHED_CONSTR").gt.0 - write (iout,*) "with_dihed_constr ",with_dihed_constr + call readi(controlcard,'CONSTR_DIST',constr_dist,0) + write (iout,*) "with_dihed_constr ",with_dihed_constr, + & " CONSTR_DIST",constr_dist + call flush(iout) return end c------------------------------------------------------------------------------