X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc%2Fenecalc1.F;fp=source%2Fwham%2Fsrc%2Fenecalc1.F;h=3695ba7d660611738e91705ab623cbb739996a0a;hb=7fcc0efe632e299b8b944facdca6b9320c8c78da;hp=ff4588176cbbe4506899adb91389743c138021ff;hpb=3dad03d6cf13c486395188f78daff2121cf8391c;p=unres.git diff --git a/source/wham/src/enecalc1.F b/source/wham/src/enecalc1.F index ff45881..3695ba7 100644 --- a/source/wham/src/enecalc1.F +++ b/source/wham/src/enecalc1.F @@ -195,7 +195,6 @@ c call pdbout(ii+1,beta_h(ib,ipar),efree,energia(0),0.0d0,rmsdev) & iii+1,indstart(me1)+iii," T", & 1.0d0/(1.987D-3*beta_h(ib,ipar)) errmsg_count=errmsg_count+1 - call pdbout(indstart(me1)+iii, & 1.0d0/(1.987D-3*beta_h(ib,ipar)), &energia(0),eini,0.0d0,0.0d0)