X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2Freadrtns_CSA.F;h=e40717f716adead8d16ec6de4d313f0d555dd518;hp=89ddeaca181c1bb74aa8bbc8bf291f8661211f37;hb=36865e3203724663beeb1f60abdbafbec07b1019;hpb=c1827efa66e69c93c6e2b2e7420b06b430c3550a

diff --git a/source/unres/src_MD-M/readrtns_CSA.F b/source/unres/src_MD-M/readrtns_CSA.F
index 89ddeac..e40717f 100644
--- 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