X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD%2FCOMMON.SCCOR;h=ca6210f0db37a9e3f0c3a0aee035ad560f745e67;hb=ba3b4257f01c3857bbae7927ed7815ab7f5419d6;hp=1c725d7da5176734a61bb8e9cc5e741c83ddbe08;hpb=0da141621f008888c86b52ff8e29f9873cff6dd3;p=unres.git diff --git a/source/unres/src_MD/COMMON.SCCOR b/source/unres/src_MD/COMMON.SCCOR index 1c725d7..ca6210f 100644 --- a/source/unres/src_MD/COMMON.SCCOR +++ b/source/unres/src_MD/COMMON.SCCOR @@ -1,11 +1,16 @@ - Parameters of the SCCOR term +cc Parameters of the SCCOR term double precision v1sccor,v2sccor,vlor1sccor, - & vlor2sccor,vlor3sccor + & vlor2sccor,vlor3sccor,gloc_sc, + & dcostau,dsintau,dtauangle,dcosomicron, + & domicron integer nterm_sccor,isccortyp,nsccortyp,nlor_sccor - common/torsion/v1sccor(maxterm_sccor,20,20), - & v2sccor(maxterm_sccor,20,20), + common/sccor/v1sccor(maxterm_sccor,3,20,20), + & v2sccor(maxterm_sccor,3,20,20), + & v0sccor(maxterm_sccor,20), & nterm_sccor(ntyp,ntyp),isccortyp(ntyp),nsccortyp, & nlor_sccor(ntyp,ntyp),vlor1sccor(maxterm_sccor,20,20), & vlor2sccor(maxterm_sccor,20,20), - & vlor3sccor(maxterm_sccor,20,20) - + & vlor3sccor(maxterm_sccor,20,20),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)