zmiany w WHAM PBC przed sprawdzeniem differow

[unres.git] / source / wham / src-M / readrtns.F

diff --git a/source/wham/src-M/readrtns.F b/source/wham/src-M/readrtns.F
index 36c13b1..9023170 100644 (file)
--- 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