C print *,mod(c(3,i+nres),boxzsize),bordlipbot,bordliptop
c for each residue check if it is in lipid or lipid water border area
C respos=mod(c(3,i+nres),boxzsize)
- print *,positi,bordtubebot,buftubebot,bordtubetop
+C print *,positi,bordtubebot,buftubebot,bordtubetop
if ((positi.gt.bordtubebot)
& .and.(positi.lt.bordtubetop)) then
C the energy transfer exist
C lipbufthick is thickenes of lipid buffore
sstube=sscalelip(fracinbuf)
ssgradtube=-sscagradlip(fracinbuf)/tubebufthick
- print *,ssgradtube, sstube,tubetranene(itype(i))
+C print *,ssgradtube, sstube,tubetranene(itype(i))
enetube(i)=enetube(i)+sstube*tubetranenepep
C gg_tube_SC(3,i)=gg_tube_SC(3,i)
C &+ssgradtube*tubetranene(itype(i))
C print *,mod(c(3,i+nres),boxzsize),bordlipbot,bordliptop
c for each residue check if it is in lipid or lipid water border area
C respos=mod(c(3,i+nres),boxzsize)
- print *,positi,bordtubebot,buftubebot,bordtubetop
+C print *,positi,bordtubebot,buftubebot,bordtubetop
+
if ((positi.gt.bordtubebot)
& .and.(positi.lt.bordtubetop)) then
C the energy transfer exist
C lipbufthick is thickenes of lipid buffore
sstube=sscalelip(fracinbuf)
ssgradtube=-sscagradlip(fracinbuf)/tubebufthick
- print *,ssgradtube, sstube,tubetranene(itype(i))
+C print *,ssgradtube, sstube,tubetranene(itype(i))
enetube(i+nres)=enetube(i+nres)+sstube*tubetranene(itype(i))
C gg_tube_SC(3,i)=gg_tube_SC(3,i)
C &+ssgradtube*tubetranene(itype(i))