X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc%2Freadrtns.F;h=c13b16eb290efa4d2954062cbfe57464333021e1;hb=0f16e6a86d4e9cfd5c8583879b6b97a35a2f0eda;hp=21a484e9c2be1d5939bcd42c4302ff03bb691143;hpb=a45ce81aae2c857c30b821e39e45a7a08356de4d;p=unres.git diff --git a/source/wham/src/readrtns.F b/source/wham/src/readrtns.F index 21a484e..c13b16e 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 +89,12 @@ 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 + refstr = index(controlcard,'REFSTR').gt.0 + pdbref = index(controlcard,'PDBREF').gt.0 + call flush(iout) return end c------------------------------------------------------------------------------