Merge branch 'lipid' into AFM

[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 b0b329c..684f090 100644 (file)
--- a/source/wham/src-M/readrtns.F
+++ b/source/wham/src-M/readrtns.F
@@ -17,6 +17,8 @@
       include "COMMON.FREE"
       include "COMMON.CONTROL"
       include "COMMON.ENERGIES"
+      include "COMMON.SPLITELE"
+      include "COMMON.SBRIDGE"
       character*800 controlcard
       integer i,j,k,ii,n_ene_found
       integer ind,itype1,itype2,itypf,itypsc,itypp
@@ -74,6 +76,29 @@
       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 reada(controlcard,"LIPTHICK",lipthick,0.0d0)
+      call reada(controlcard,"LIPAQBUF",lipbufthick,0.0d0)
+      if (lipthick.gt.0.0d0) then
+       bordliptop=(boxzsize+lipthick)/2.0
+       bordlipbot=bordliptop-lipthick
+C      endif
+      if ((bordliptop.gt.boxzsize).or.(bordlipbot.lt.0.0))
+     & write(iout,*) "WARNING WRONG SIZE OF LIPIDIC PHASE"
+      buflipbot=bordlipbot+lipbufthick
+      bufliptop=bordliptop-lipbufthick
+      if ((lipbufthick*2.0d0).gt.lipthick)
+     &write(iout,*) "WARNING WRONG SIZE OF LIP AQ BUF"
+      endif
+      write(iout,*) "bordliptop=",bordliptop
+      write(iout,*) "bordlipbot=",bordlipbot
+      write(iout,*) "bufliptop=",bufliptop
+      write(iout,*) "buflipbot=",buflipbot
       call readi(controlcard,'SYM',symetr,1)
       write (iout,*) "DISTCHAINMAX",distchainmax
       write (iout,*) "delta",delta
@@ -90,6 +115,8 @@
       zscfile=index(controlcard,"ZSCFILE").gt.0
       with_dihed_constr = index(controlcard,"WITH_DIHED_CONSTR").gt.0
       write (iout,*) "with_dihed_constr ",with_dihed_constr
+      with_theta_constr = index(controlcard,"WITH_THETA_CONSTR").gt.0
+      write (iout,*) "with_theta_constr ",with_theta_constr
       call readi(controlcard,'CONSTR_DIST',constr_dist,0)
       dyn_ss=index(controlcard,"DYN_SS").gt.0
       return