X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc%2Fenecalc1.F;h=857aec0e6d6d145213f66df3b4cf81023f5b8210;hb=34b56f82298df0d9781948908b2d93415838d88e;hp=459f395933879c0b0b14af65a823a4194c66d9f0;hpb=6faa406438bff5968dc4a386929745cfaf554352;p=unres.git diff --git a/source/wham/src/enecalc1.F b/source/wham/src/enecalc1.F index 459f395..857aec0 100644 --- a/source/wham/src/enecalc1.F +++ b/source/wham/src/enecalc1.F @@ -212,7 +212,6 @@ c call pdbout(ii+1,beta_h(ib,ipar),efree,energia(0),0.0d0,rmsdev) do k=1,21 enetb(k,iii+1,iparm)=energia(k) enddo -#define DEBUG #ifdef DEBUG write (iout,'(2i5,f10.1,3e15.5)') i,iii, & 1.0d0/(beta_h(ib,ipar)*1.987D-3),energia(0),eini,efree @@ -236,7 +235,6 @@ c call pdbout(ii+1,beta_h(ib,ipar),efree,energia(0),0.0d0,rmsdev) call pdbout(ii+1,beta_h(ib,ipar),efree,energia(0),0.0d0,rmsdev) close(ipdb) #endif -#undef DEBUG endif enddo ! iparm