X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2FssMD.F;h=8b7f2a4f16d20ab7773207f31e4b9e4165b2889e;hb=25cf4acee8e56498ffe13a204a90853d8c415869;hp=50e1040cfc5d1165a0236b8bf3d475e749d2479f;hpb=b9025a366733ac0290debbd52ede3527d29c9ed5;p=unres.git diff --git a/source/unres/src_MD-M/ssMD.F b/source/unres/src_MD-M/ssMD.F index 50e1040..8b7f2a4 100644 --- a/source/unres/src_MD-M/ssMD.F +++ b/source/unres/src_MD-M/ssMD.F @@ -624,9 +624,9 @@ cmc write(iout,*)"NEWNSS ",newnss,(newihpb(i),newjhpb(i),i=1,newnss) enddo #ifndef CLUST #ifndef WHAM - if (.not.found.and.fg_rank.eq.0) - & write(iout,'(a15,f12.2,f8.1,2i5)') - & "SSBOND_BREAK",totT,t_bath,idssb(i),jdssb(i) +c if (.not.found.and.fg_rank.eq.0) +c & write(iout,'(a15,f12.2,f8.1,2i5)') +c & "SSBOND_BREAK",totT,t_bath,idssb(i),jdssb(i) #endif #endif enddo @@ -639,9 +639,9 @@ cmc write(iout,*)"NEWNSS ",newnss,(newihpb(i),newjhpb(i),i=1,newnss) enddo #ifndef CLUST #ifndef WHAM - if (.not.found.and.fg_rank.eq.0) - & write(iout,'(a15,f12.2,f8.1,2i5)') - & "SSBOND_FORM",totT,t_bath,newihpb(i),newjhpb(i) +c if (.not.found.and.fg_rank.eq.0) +c & write(iout,'(a15,f12.2,f8.1,2i5)') +c & "SSBOND_FORM",totT,t_bath,newihpb(i),newjhpb(i) #endif #endif enddo @@ -1990,7 +1990,7 @@ c integer itypi,itypj,k,l double precision ssA,ssB,ssC,ssXs double precision ssxm,ljxm,ssm,ljm double precision d_ssxm(1:3),d_ljxm(1:3),d_ssm(1:3),d_ljm(1:3) - + if (dtriss.eq.0) return i=resi j=resj k=resk