X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fcluster%2Fwham%2Fsrc-M%2Finclude_unres%2FCOMMON.TORCNSTR;h=8958b81e87021ede3a97c629ffeadcf5d31f68b7;hb=34d3ad3987785642be58fb2f26557d3314215577;hp=f8fc3a159714b62ef7882adaf726b6d14832c9d4;hpb=f690e8b70bab14132839afebf080d4a28363b226;p=unres.git diff --git a/source/cluster/wham/src-M/include_unres/COMMON.TORCNSTR b/source/cluster/wham/src-M/include_unres/COMMON.TORCNSTR index f8fc3a1..8958b81 100644 --- a/source/cluster/wham/src-M/include_unres/COMMON.TORCNSTR +++ b/source/cluster/wham/src-M/include_unres/COMMON.TORCNSTR @@ -1,5 +1,17 @@ - integer ndih_constr,idih_constr(maxdih_constr) + integer ndih_constr,idih_constr(maxdih_constr),ntheta_constr, + & itheta_constr(maxdih_constr) integer ndih_nconstr,idih_nconstr(maxdih_constr) - double precision phi0(maxdih_constr),drange(maxdih_constr),ftors - common /torcnstr/ phi0,drange,ftors,ndih_constr,idih_constr, - & ndih_nconstr,idih_nconstr + integer idihconstr_start,idihconstr_end,ithetaconstr_start, + & ithetaconstr_end + logical raw_psipred + double precision phi0(maxdih_constr),drange(maxdih_constr), + & ftors(maxdih_constr),theta_constr0(maxdih_constr), + & theta_drange(maxdih_constr),for_thet_constr(maxdih_constr), + & vpsipred(3,maxdih_constr),sdihed(2,maxdih_constr), + & phibound(2,maxres),wdihc + common /torcnstr/ phi0,drange,ftors,theta_constr0,theta_drange, + & for_thet_constr,vpsipred,sdihed,phibound,wdihc, + & ndih_constr,idih_constr, + & ndih_nconstr,idih_nconstr,idihconstr_start,idihconstr_end, + & ntheta_constr,itheta_constr,ithetaconstr_start, + & ithetaconstr_end,raw_psipred