X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;ds=sidebyside;f=source%2Funres%2Fsrc_MD-M%2FssMD.F;h=dceec729e701daaba71f3e311afe677bd3b6233e;hb=49b4d93d38312bdd6e5e9c6bb845431396c9b0f5;hp=8b7f2a4f16d20ab7773207f31e4b9e4165b2889e;hpb=25cf4acee8e56498ffe13a204a90853d8c415869;p=unres.git diff --git a/source/unres/src_MD-M/ssMD.F b/source/unres/src_MD-M/ssMD.F index 8b7f2a4..dceec72 100644 --- a/source/unres/src_MD-M/ssMD.F +++ b/source/unres/src_MD-M/ssMD.F @@ -655,38 +655,7 @@ c & "SSBOND_FORM",totT,t_bath,newihpb(i),newjhpb(i) return end -c---------------------------------------------------------------------------- - -#ifdef WHAM - subroutine read_ssHist - implicit none - -c Includes - include 'DIMENSIONS' - include "DIMENSIONS.FREE" - include 'COMMON.FREE' -c Local variables - integer i,j - character*80 controlcard - - do i=1,dyn_nssHist - call card_concat(controlcard,.true.) - read(controlcard,*) - & dyn_ssHist(i,0),(dyn_ssHist(i,j),j=1,2*dyn_ssHist(i,0)) - enddo - - return - end -#endif - -c---------------------------------------------------------------------------- - - -C----------------------------------------------------------------------------- -C----------------------------------------------------------------------------- -C----------------------------------------------------------------------------- -C----------------------------------------------------------------------------- C----------------------------------------------------------------------------- C----------------------------------------------------------------------------- C----------------------------------------------------------------------------- @@ -1990,6 +1959,7 @@ 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) + eij=0.0 if (dtriss.eq.0) return i=resi j=resj