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=32e6a2acce59b6cf4ba4addd790bfaeccff42f02;hp=265b705389cf645f5f131c4c128559bfb539ea84;hpb=a1174757c39d2d9dc4579febaeb2e7d3d84602a3;p=unres.git

diff --git a/source/unres/src_MD-M/readrtns_CSA.F b/source/unres/src_MD-M/readrtns_CSA.F
index 265b705..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
@@ -213,7 +215,15 @@ cfmc        modecalc=10
       i2ndstr=index(controlcard,'USE_SEC_PRED')
       gradout=index(controlcard,'GRADOUT').gt.0
       gnorm_check=index(controlcard,'GNORM_CHECK').gt.0
+C  DISTCHAINMAX become obsolete for periodic boundry condition
       call reada(controlcard,'DISTCHAINMAX',distchainmax,5.0d0)
+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
       
@@ -340,8 +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