X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc-HCD-5D%2Finclude_unres%2FCOMMON.SBRIDGE;h=a313d8f0c0c051f1188cbd6285ed9aa02f126165;hb=1441ec2b7d68b4fd94014649e4bd9574db0bfc36;hp=7facbfefee283be489780243414f2547b424f24c;hpb=79fd686e9d9aaa23e4fda802ee16379470e961d3;p=unres.git diff --git a/source/wham/src-HCD-5D/include_unres/COMMON.SBRIDGE b/source/wham/src-HCD-5D/include_unres/COMMON.SBRIDGE index 7facbfe..a313d8f 100644 --- a/source/wham/src-HCD-5D/include_unres/COMMON.SBRIDGE +++ b/source/wham/src-HCD-5D/include_unres/COMMON.SBRIDGE @@ -1,20 +1,22 @@ double precision ss_depth,ebr,d0cm,akcm,akth,akct,v1ss,v2ss,v3ss - integer ns,nss,nfree,iss + integer ns,nss,nfree,iss,icys common /sbridge/ ss_depth,ebr,d0cm,akcm,akth,akct,v1ss,v2ss,v3ss, - & ns,nss,nfree,iss(maxss) + & ns,nss,nfree,iss(maxss),icys(maxres) double precision dhpb,dhpb1,forcon,fordepth,xlscore,wboltzd, & dhpb_peak,dhpb1_peak,forcon_peak,fordepth_peak,scal_peak,bfac integer ihpb,jhpb,nhpb,idssb,jdssb,ibecarb,ibecarb_peak,npeak, & ipeak,irestr_type,irestr_type_peak,ihpb_peak,jhpb_peak,nhpb_peak logical restr_on_coord - common /links/ dhpb(maxdim),dhpb1(maxdim),forcon(maxdim), - & fordepth(maxdim),bfac(maxres),xlscore(maxdim),wboltzd, - & ihpb(maxdim),jhpb(maxdim),ibecarb(maxdim),irestr_type(maxdim), + common /links/ dhpb(maxdim_cont),dhpb1(maxdim_cont), + & forcon(maxdim_cont),fordepth(maxdim_cont),bfac(maxres), + & xlscore(maxdim_cont),wboltzd,ihpb(maxdim_cont),jhpb(maxdim_cont), + & ibecarb(maxdim_cont),irestr_type(maxdim_cont), & nhpb,restr_on_coord - common /NMRpeaks/ dhpb_peak(maxdim),dhpb1_peak(maxdim), - & forcon_peak(maxdim),fordepth_peak(maxdim),scal_peak, - & ihpb_peak(maxdim),jhpb_peak(maxdim),ibecarb_peak(maxdim), - & irestr_type_peak(maxdim),ipeak(2,maxdim),npeak,nhpb_peak + common /NMRpeaks/ dhpb_peak(maxdim_cont),dhpb1_peak(maxdim_cont), + & forcon_peak(maxdim_cont),fordepth_peak(maxdim_cont),scal_peak, + & ihpb_peak(maxdim_cont),jhpb_peak(maxdim_cont), + & ibecarb_peak(maxdim_cont),irestr_type_peak(maxdim_cont), + & ipeak(2,maxdim_cont),npeak,nhpb_peak double precision weidis common /restraints/ weidis integer link_start,link_end,link_start_peak,link_end_peak @@ -23,7 +25,7 @@ double precision Ht,dyn_ssbond_ij,dtriss,atriss,btriss,ctriss logical dyn_ss,dyn_ss_mask common /dyn_ssbond/ dtriss,atriss,btriss,ctriss,Ht, - & dyn_ssbond_ij(maxres,maxres), - & idssb(maxdim),jdssb(maxdim) + & dyn_ssbond_ij(max_cyst,max_cyst), + & idssb(maxss),jdssb(maxss) common /dyn_ss_logic/ & dyn_ss,dyn_ss_mask(maxres)