X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fcluster%2Fwham%2Fsrc-M%2Freadrtns.F;h=f29d6f704b15af15b72be58ebe162106718e53eb;hb=1c1896894e1ff9450f7529dd8678c76cc62faf22;hp=321e11e719d3f9b0ecf4025afaeaf2f0df7250e3;hpb=a4f594bc7dda8c1341d22f69e65ca8f8502a6642;p=unres.git diff --git a/source/cluster/wham/src-M/readrtns.F b/source/cluster/wham/src-M/readrtns.F index 321e11e..f29d6f7 100644 --- a/source/cluster/wham/src-M/readrtns.F +++ b/source/cluster/wham/src-M/readrtns.F @@ -28,6 +28,13 @@ 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)