AFM+tube+kcc

[unres.git] / source / unres / src_MD-M / readrtns_CSA.F

diff --git a/source/unres/src_MD-M/readrtns_CSA.F b/source/unres/src_MD-M/readrtns_CSA.F
index 89ddeac..e40717f 100644 (file)
--- a/source/unres/src_MD-M/readrtns_CSA.F
+++ b/source/unres/src_MD-M/readrtns_CSA.F
@@ -147,11 +147,6 @@ C constrains on theta angles WITH_THETA_CONSTR is the keyword
       print *,'AFMlog',AFMlog,selfguide,"KUPA"
       call readi(controlcard,'TUBEMOD',tubelog,0)
       write (iout,*) TUBElog,"TUBEMODE"
-      if (TUBElog.gt.0) then
-       call reada(controlcard,"XTUBE",tubecenter(1),0.0d0)
-       call reada(controlcard,"YTUBE",tubecenter(2),0.0d0)
-       call reada(controlcard,"RTUBE",tubeR0,0.0d0)
-      endif
       call readi(controlcard,'IPRINT',iprint,0)
 C SHIELD keyword sets if the shielding effect of side-chains is used
 C 0 denots no shielding is used all peptide are equally despite the 
@@ -270,6 +265,16 @@ C      endif
       write(iout,*) "bufliptop=",bufliptop
       write(iout,*) "buflipbot=",buflipbot
       write (iout,*) "SHIELD MODE",shield_mode
+      if (TUBElog.gt.0) then
+       call reada(controlcard,"XTUBE",tubecenter(1),0.0d0)
+       call reada(controlcard,"YTUBE",tubecenter(2),0.0d0)
+       call reada(controlcard,"RTUBE",tubeR0,0.0d0)
+       call reada(controlcard,"TUBETOP",bordtubetop,boxzsize)
+       call reada(controlcard,"TUBEBOT",bordtubebot,0.0d0)
+       call reada(controlcard,"TUBEBUF",tubebufthick,1.0d0)
+       buftubebot=bordtubebot+tubebufthick
+       buftubetop=bordtubetop-tubebufthick
+      endif
       if (shield_mode.gt.0) then
       pi=3.141592d0
 C VSolvSphere the volume of solving sphere