chyba dzialajacy lipid

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

diff --git a/source/unres/src_MD-M/energy_p_new_barrier.F b/source/unres/src_MD-M/energy_p_new_barrier.F
index 931f56f..0044ec5 100644 (file)
--- a/source/unres/src_MD-M/energy_p_new_barrier.F
+++ b/source/unres/src_MD-M/energy_p_new_barrier.F
@@ -1623,7 +1623,7 @@ C what fraction I am in
 C lipbufthick is thickenes of lipid buffore
          sslipj=sscalelip(fracinbuf)
          ssgradlipj=-sscagradlip(fracinbuf)/lipbufthick
-        elseif (zi.gt.bufliptop) then
+        elseif (zj.gt.bufliptop) then
          fracinbuf=1.0d0-((bordliptop-zj)/lipbufthick)
          sslipj=sscalelip(fracinbuf)
          ssgradlipj=sscagradlip(fracinbuf)/lipbufthick
@@ -1825,12 +1825,12 @@ C the energy transfer exist
         if (zi.lt.buflipbot) then
 C what fraction I am in
          fracinbuf=1.0d0-
-     &        ((positi-bordlipbot)/lipbufthick)
+     &        ((zi-bordlipbot)/lipbufthick)
 C lipbufthick is thickenes of lipid buffore
          sslipi=sscalelip(fracinbuf)
          ssgradlipi=-sscagradlip(fracinbuf)/lipbufthick
         elseif (zi.gt.bufliptop) then
-         fracinbuf=1.0d0-((bordliptop-positi)/lipbufthick)
+         fracinbuf=1.0d0-((bordliptop-zi)/lipbufthick)
          sslipi=sscalelip(fracinbuf)
          ssgradlipi=sscagradlip(fracinbuf)/lipbufthick
         else
@@ -1893,12 +1893,12 @@ C the energy transfer exist
         if (zj.lt.buflipbot) then
 C what fraction I am in
          fracinbuf=1.0d0-
-     &        ((positi-bordlipbot)/lipbufthick)
+     &        ((zj-bordlipbot)/lipbufthick)
 C lipbufthick is thickenes of lipid buffore
          sslipj=sscalelip(fracinbuf)
          ssgradlipj=-sscagradlip(fracinbuf)/lipbufthick
-        elseif (zi.gt.bufliptop) then
-         fracinbuf=1.0d0-((bordliptop-positi)/lipbufthick)
+        elseif (zj.gt.bufliptop) then
+         fracinbuf=1.0d0-((bordliptop-zj)/lipbufthick)
          sslipj=sscalelip(fracinbuf)
          ssgradlipj=sscagradlip(fracinbuf)/lipbufthick
         else
@@ -5143,7 +5143,6 @@ cgrad        enddo
             ghpbc(k,iii)=ghpbc(k,iii)-ggg(k)
           enddo
         endif
-       endif
       enddo
       ehpb=0.5D0*ehpb
       return