X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fcluster%2Fwham%2Fsrc%2FCOMMON.SCCOR;fp=source%2Fcluster%2Fwham%2Fsrc%2FCOMMON.SCCOR;h=1a4aa7fd7f577971d042e78772cbf15e8fc80894;hb=5b0e27e99ac1e61b8b155f3cc6351fac58c391ca;hp=0857cd864472c5b39b8c1cde64a8e35df091566b;hpb=664d495e70d14eed4e97f7b8efd2e107dee2fd4e;p=unres.git diff --git a/source/cluster/wham/src/COMMON.SCCOR b/source/cluster/wham/src/COMMON.SCCOR index 0857cd8..1a4aa7f 100644 --- a/source/cluster/wham/src/COMMON.SCCOR +++ b/source/cluster/wham/src/COMMON.SCCOR @@ -4,14 +4,16 @@ cc Parameters of the SCCOR term & dcostau,dsintau,dtauangle,dcosomicron, & domicron 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,-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, + & nterm_sccor(-ntyp:ntyp,-ntyp:ntyp),isccortyp(-ntyp:ntyp) + & ,nsccortyp, & nlor_sccor(ntyp,ntyp)