X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2FCOMMON.TORCNSTR;h=9476b50a7f81aa45343f414306c80e15e34c0190;hb=34d3ad3987785642be58fb2f26557d3314215577;hp=e4af17c34aa717559dea25c678765963a33478b0;hpb=f690e8b70bab14132839afebf080d4a28363b226;p=unres.git diff --git a/source/unres/src_MD-M/COMMON.TORCNSTR b/source/unres/src_MD-M/COMMON.TORCNSTR index e4af17c..9476b50 100644 --- a/source/unres/src_MD-M/COMMON.TORCNSTR +++ b/source/unres/src_MD-M/COMMON.TORCNSTR @@ -1,6 +1,16 @@ - 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) - integer idihconstr_start,idihconstr_end - double precision phi0(maxdih_constr),drange(maxdih_constr),ftors - common /torcnstr/ phi0,drange,ftors,ndih_constr,idih_constr, - & ndih_nconstr,idih_nconstr,idihconstr_start,idihconstr_end + 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),wdihc + common /torcnstr/ phi0,drange,ftors,theta_constr0,theta_drange, + & for_thet_constr,vpsipred,sdihed,wdihc, + & ndih_constr,idih_constr, + & ndih_nconstr,idih_nconstr,idihconstr_start,idihconstr_end, + & ntheta_constr,itheta_constr,ithetaconstr_start, + & ithetaconstr_end,raw_psipred