X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc-M%2Fenergy_p_new.F;h=6b893c4b2950af5986d1d033d8ff9f8d0a8290eb;hb=2fa6e5ecee7f8c321deb7edb0c0600d421d04ea0;hp=a0b80a5c10d6f3107e4996bb45ec7831ed42ee0c;hpb=600917182d15a7520c46beb2fb0cf5b02e940135;p=unres.git diff --git a/source/wham/src-M/energy_p_new.F b/source/wham/src-M/energy_p_new.F index a0b80a5..6b893c4 100644 --- a/source/wham/src-M/energy_p_new.F +++ b/source/wham/src-M/energy_p_new.F @@ -189,11 +189,9 @@ c detecting NaNQ #ifdef MPL c endif #endif -#define DEBUG #ifdef DEBUG call enerprint(energia,fact) #endif -#undef DEBUG if (calc_grad) then C C Sum up the components of the Cartesian gradient. @@ -4448,6 +4446,7 @@ C include 'COMMON.NAMES' include 'COMMON.FFIELD' include 'COMMON.CONTROL' + include 'COMMON.TORCNSTR' double precision coskt(mmaxtheterm),sinkt(mmaxtheterm), & cosph1(maxsingle),sinph1(maxsingle),cosph2(maxsingle), & sinph2(maxsingle),cosph1ph2(maxdouble,maxdouble),