X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fcluster%2Fwham%2Fsrc-HCD-5D%2Frmscalc.F;h=6da72c990f57af9e11cbb8a48f9485ca2c51d30d;hb=1bcb3c1de31a7a0295279137b22719a799fa617d;hp=a572ecd5e46fa98b43188b21802e6c1e70befb51;hpb=792a4f1a34836152e0949d2b08a6283a0b153176;p=unres.git diff --git a/source/cluster/wham/src-HCD-5D/rmscalc.F b/source/cluster/wham/src-HCD-5D/rmscalc.F index a572ecd..6da72c9 100644 --- a/source/cluster/wham/src-HCD-5D/rmscalc.F +++ b/source/cluster/wham/src-HCD-5D/rmscalc.F @@ -24,6 +24,8 @@ C Loop over chain permutations write (iout,*) "ichain",ichain," indchain",indchain write (iout,*) "chain_border",chain_border(1,ichain), & chain_border(2,ichain) + write (iout,*) "chain_length",chain_length(ichain) + write (iout,*) "nstart_sup",nstart_sup," nend_sup",nend_sup #endif do i=1,chain_length(ichain) c do i=nstart_sup(ichain),nend_sup(ichain) @@ -201,9 +203,6 @@ c------------------------------------------------------------------------ enddo enddo rmsside=dsqrt(rmsside/nnnn) -#ifdef DEBUG - write (iout,*) iii,iref," nnnn",nnnn," rmsside",rmsside -#endif rmscalc_side=rmsside return end