X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD%2FCOMMON.SCCOR;h=78ff4823a82d142a1b5d7c2e95404e2ba4e61da8;hb=149383c65d245f0628668c5c5fa4a1bc76a48839;hp=1c725d7da5176734a61bb8e9cc5e741c83ddbe08;hpb=b4becabc6108ff22f29f1680c6392d943c30f3e2;p=unres.git diff --git a/source/unres/src_MD/COMMON.SCCOR b/source/unres/src_MD/COMMON.SCCOR index 1c725d7..78ff482 100644 --- a/source/unres/src_MD/COMMON.SCCOR +++ b/source/unres/src_MD/COMMON.SCCOR @@ -1,11 +1,26 @@ - 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,v0sccor integer nterm_sccor,isccortyp,nsccortyp,nlor_sccor - common/torsion/v1sccor(maxterm_sccor,20,20), - & v2sccor(maxterm_sccor,20,20), - & nterm_sccor(ntyp,ntyp),isccortyp(ntyp),nsccortyp, - & nlor_sccor(ntyp,ntyp),vlor1sccor(maxterm_sccor,20,20), +<<<<<<< HEAD + common/sccor/v1sccor(maxterm_sccor,3,20,20), + & v2sccor(maxterm_sccor,3,20,20), +======= + common/sccor/v1sccor(maxterm_sccor,3,-ntyp:ntyp,-ntyp:ntyp), + & v2sccor(maxterm_sccor,3,-ntyp:ntyp,-ntyp:ntyp), + & v0sccor(maxterm_sccor,-ntyp:ntyp), + & nterm_sccor(-ntyp:ntyp,-ntyp:ntyp),isccortyp(-ntyp:ntyp), + & nsccortyp, + & nlor_sccor(-ntyp:ntyp,-ntyp:ntyp), +>>>>>>> 2acc991... Wprowadznie potencjalow SC-COR do multichain oraz ich pseudosymetrii dla + & 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), + & v0sccor(ntyp,ntyp), + & 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)