X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=source%2Fcluster%2Fwham%2Fsrc-M%2Freadrtns.F;h=ea51dbf8262455873fa2ae0415452ecacd9a33e9;hp=aa85ca122d970df64c0d8ef3f4a559c342789e55;hb=d101c97dea752458d76055fdbae49c26fff03c1f;hpb=3a74889c3f6514588d40ec326a78f33b3663f5be diff --git a/source/cluster/wham/src-M/readrtns.F b/source/cluster/wham/src-M/readrtns.F index aa85ca1..ea51dbf 100644 --- a/source/cluster/wham/src-M/readrtns.F +++ b/source/cluster/wham/src-M/readrtns.F @@ -15,6 +15,7 @@ C include 'COMMON.FFIELD' include 'COMMON.FREE' include 'COMMON.INTERACT' + include "COMMON.SPLITELE" character*320 controlcard,ucase #ifdef MPL include 'COMMON.INFO' @@ -28,6 +29,13 @@ C call readi(controlcard,'RESCALE',rescale_mode,2) call reada(controlcard,'DISTCHAINMAX',distchainmax,50.0d0) write (iout,*) "DISTCHAINMAX",distchainmax +C Reading the dimensions of box in x,y,z coordinates + 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,'PDBOUT',outpdb,0) call readi(controlcard,'MOL2OUT',outmol2,0) refstr=(index(controlcard,'REFSTR').gt.0)