X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc%2Fenergy_p_new.F;h=9e0b2c565829ef261bd57dea94775ca634e5e05c;hb=b3332a0737da32abddd105126f2c43a69da0419d;hp=9ea237d77230f5811297c58fd6cf9092110b3471;hpb=34d9af87d8a30caeb12b841c0310ced100c44970;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