X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc-M%2Freadrtns.F;h=9023170c40b8564b995d78ecd34d1e31ef36c953;hb=0d0c28ca14abcf99ccb778cdba15a9646736571d;hp=36c13b17068792d185c630bf54a39c5de53d2a4b;hpb=8f0e89da0301c2e2492a53db5f33e55e0d6f1ad8;p=unres.git diff --git a/source/wham/src-M/readrtns.F b/source/wham/src-M/readrtns.F index 36c13b1..9023170 100644 --- a/source/wham/src-M/readrtns.F +++ b/source/wham/src-M/readrtns.F @@ -17,6 +17,7 @@ include "COMMON.FREE" include "COMMON.CONTROL" include "COMMON.ENERGIES" + include "COMMON.SPLITELE" character*800 controlcard integer i,j,k,ii,n_ene_found integer ind,itype1,itype2,itypf,itypsc,itypp @@ -74,6 +75,12 @@ call readi(controlcard,"RESCALE",rescale_mode,1) check_conf=index(controlcard,"NO_CHECK_CONF").eq.0 call reada(controlcard,'DISTCHAINMAX',distchainmax,50.0d0) + call reada(controlcard,'BOXX',boxxsize,100.0d0) + call reada(controlcard,'BOXY',boxysize,100.0d0) + call reada(controlcard,'BOXZ',boxzsize,100.0d0) +c Cutoff range for interactions + call reada(controlcard,"R_CUT",r_cut,15.0d0) + call reada(controlcard,"LAMBDA",rlamb,0.3d0) call readi(controlcard,'SYM',symetr,1) write (iout,*) "DISTCHAINMAX",distchainmax write (iout,*) "delta",delta