X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc%2Fenergy_p_new.F;fp=source%2Fwham%2Fsrc%2Fenergy_p_new.F;h=9e0b2c565829ef261bd57dea94775ca634e5e05c;hb=db549f57ffcb6ea5f69434155a091e334a711065;hp=9ea237d77230f5811297c58fd6cf9092110b3471;hpb=52fa0196198deec7618362330bbc9d0cec34ffcc;p=unres.git diff --git a/source/wham/src/energy_p_new.F b/source/wham/src/energy_p_new.F index 9ea237d..9e0b2c5 100644 --- a/source/wham/src/energy_p_new.F +++ b/source/wham/src/energy_p_new.F @@ -154,7 +154,7 @@ c write (iout,*) "ft(6)",fact(6)," evdw",evdw," evdw_t",evdw_t energia(19)=esccor energia(20)=edihcnstr energia(21)=evdw_t - if (dyn_ss) call dyn_set_nss +c if (dyn_ss) call dyn_set_nss c detecting NaNQ #ifdef ISNAN #ifdef AIX