X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc%2Fenecalc1.F;h=397e0f3b697599683c05a423571de906f2cd2301;hb=5303919700c65ffc77d1e57d865fdc3262d17130;hp=615fe96a9fb2bc655bbe8296f853c7e7ef61a222;hpb=5e1bc7276f25b1f6894ff2749358ccc8c1c998dc;p=unres.git diff --git a/source/wham/src/enecalc1.F b/source/wham/src/enecalc1.F index 615fe96..397e0f3 100644 --- a/source/wham/src/enecalc1.F +++ b/source/wham/src/enecalc1.F @@ -183,7 +183,7 @@ c & (c(j,ires+nres),j=1,3) c enddo call intout #endif - if (energia(0).ge.1.0d20) then + if (energia(0).ge.1.0d6) then write (iout,*) "NaNs detected in some of the energy", & " components for conformation",ii+1 write (iout,*) "The Cartesian geometry is:"