X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc%2Finclude_unres%2FCOMMON.SCCOR;fp=source%2Fwham%2Fsrc%2Finclude_unres%2FCOMMON.SCCOR;h=efe2f8023ff0a93e76ff293e587d8131d860a77c;hb=62e5c36dfb2d05728ddba047bae10c9cf3287e38;hp=efab24f4c412f0420470ed5a85c58ce67d17d18c;hpb=0b2de74525356cd5914cfe29e6c6d7700c95d996;p=unres.git diff --git a/source/wham/src/include_unres/COMMON.SCCOR b/source/wham/src/include_unres/COMMON.SCCOR index efab24f..efe2f80 100644 --- a/source/wham/src/include_unres/COMMON.SCCOR +++ b/source/wham/src/include_unres/COMMON.SCCOR @@ -4,15 +4,17 @@ cc Parameters of the SCCOR term & dcostau,dsintau,dtauangle,dcosomicron, & domicron,v0sccor integer nterm_sccor,isccortyp,nsccortyp,nlor_sccor - common /sccor/ v1sccor(maxterm_sccor,3,20,20), - & v2sccor(maxterm_sccor,3,20,20), - & v0sccor(maxterm_sccor,20), - & vlor1sccor(maxterm_sccor,20,20), - & vlor2sccor(maxterm_sccor,20,20), - & vlor3sccor(maxterm_sccor,20,20),gloc_sc(3,0:maxres2,10), + common /sccor/ v1sccor(maxterm_sccor,3,-ntyp:ntyp,-ntyp:ntyp), + & v2sccor(maxterm_sccor,3,-ntyp:ntyp,-ntyp:ntyp), + & v0sccor(maxterm_sccor,-ntyp:ntyp), + & vlor1sccor(maxterm_sccor,-ntyp:ntyp,-ntyp:ntyp), + & vlor2sccor(maxterm_sccor,-ntyp:ntyp,-ntyp:ntyp), + & vlor3sccor(maxterm_sccor,-ntyp:ntyp,-ntyp:ntyp), + & gloc_sc(3,0:maxres2,10), & dcostau(3,3,3,maxres2),dsintau(3,3,3,maxres2), & dtauangle(3,3,3,maxres2),dcosomicron(3,3,3,maxres2), & domicron(3,3,3,maxres2), - & nterm_sccor(ntyp,ntyp),isccortyp(ntyp),nsccortyp, - & nlor_sccor(ntyp,ntyp) + & nterm_sccor(-ntyp:ntyp,-ntyp:ntyp),isccortyp(-ntyp:ntyp), + & nsccortyp, + & nlor_sccor(-ntyp:ntyp,-ntyp:ntyp)