From dee4d9f5939ebbab46c521dbe5077e69dd4f0bc0 Mon Sep 17 00:00:00 2001 From: Adam Sieradzan Date: Mon, 8 May 2017 11:37:47 +0200 Subject: [PATCH] comment printout --- source/unres/src_MD-M/energy_p_new_barrier.F | 9 +++++---- 1 file changed, 5 insertions(+), 4 deletions(-) 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 3703b07..2647bce 100644 --- a/source/unres/src_MD-M/energy_p_new_barrier.F +++ b/source/unres/src_MD-M/energy_p_new_barrier.F @@ -12398,7 +12398,7 @@ C THIS FRAGMENT MAKES TUBE FINITE 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 @@ -12408,7 +12408,7 @@ 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)) @@ -12486,7 +12486,8 @@ C THIS FRAGMENT MAKES TUBE FINITE 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 @@ -12496,7 +12497,7 @@ 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)) -- 1.7.9.5