X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2Freadrtns_CSA.F;h=8e7b1523c4787d9c05d22212cc21fb7cff6f2fb5;hb=0bb81c1c3180a2079d70af7dd534295e1e0b1e4c;hp=de4b92e4edfd217770c0a87f7a9281e7c5f0dab0;hpb=2ec03757b68a8fb1a604a7f84f83086291fc75db;p=unres.git diff --git a/source/unres/src_MD-M/readrtns_CSA.F b/source/unres/src_MD-M/readrtns_CSA.F index de4b92e..8e7b152 100644 --- a/source/unres/src_MD-M/readrtns_CSA.F +++ b/source/unres/src_MD-M/readrtns_CSA.F @@ -8,6 +8,7 @@ include 'COMMON.CONTROL' include 'COMMON.SBRIDGE' include 'COMMON.IOUNITS' + include 'COMMON.SPLITELE' logical file_exist C Read force-field parameters except weights call parmread @@ -79,6 +80,7 @@ C include 'COMMON.FFIELD' include 'COMMON.INTERACT' include 'COMMON.SETUP' + include 'COMMON.SPLITELE' COMMON /MACHSW/ KDIAG,ICORFL,IXDR character*8 diagmeth(0:3) /'Library','EVVRSP','Givens','Jacobi'/ character*80 ucase @@ -219,7 +221,9 @@ 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) if (me.eq.king .or. .not.out1file ) & write (iout,*) "DISTCHAINMAX",distchainmax @@ -346,8 +350,8 @@ C ntime_split0=ntime_split call readi(controlcard,"MAXTIME_SPLIT",maxtime_split,64) ntime_split0=ntime_split - call reada(controlcard,"R_CUT",r_cut,2.0d0) - call reada(controlcard,"LAMBDA",rlamb,0.3d0) +c call reada(controlcard,"R_CUT",r_cut,2.0d0) +c call reada(controlcard,"LAMBDA",rlamb,0.3d0) rest = index(controlcard,"REST").gt.0 tbf = index(controlcard,"TBF").gt.0 usampl = index(controlcard,"USAMPL").gt.0