X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD%2FCOMMON.LOCAL;h=a3f68dcf4bd50eb410f9d6bf05bfd9098f7ce569;hb=f6eb5c2d70287339a62fc51fadfbce56be74c40a;hp=f8b5ab31873dfa9b7bbde447b5bab56b0ffd239e;hpb=1ec63117ee44a3e787d12afd971025ec11340b1f;p=unres.git diff --git a/source/unres/src_MD/COMMON.LOCAL b/source/unres/src_MD/COMMON.LOCAL index f8b5ab3..a3f68dc 100644 --- a/source/unres/src_MD/COMMON.LOCAL +++ b/source/unres/src_MD/COMMON.LOCAL @@ -2,14 +2,12 @@ & sigc0,dsc,dsc_inv,bsc,censc,gaussc,dsc0 integer nlob C Parameters of the virtual-bond-angle probability distribution - common /thetas/ a0thet(-ntyp:ntyp),athet(2,-ntyp:ntyp,-1:1,-1:1), - & bthet(2,-ntyp:ntyp,-1:1,-1:1), polthet(0:3,-ntyp:ntyp), - & gthet(3,-ntyp:ntyp),theta0(-ntyp:ntyp),sig0(-ntyp:ntyp), - & sigc0(-ntyp:ntyp) + common /thetas/ a0thet(ntyp),athet(2,ntyp),bthet(2,ntyp), + & polthet(0:3,ntyp),gthet(3,ntyp),theta0(ntyp),sig0(ntyp), + & sigc0(ntyp) C Parameters of the side-chain probability distribution common /sclocal/ dsc(ntyp1),dsc_inv(ntyp1),bsc(maxlob,ntyp), - & censc(3,maxlob,-ntyp:ntyp),gaussc(3,3,maxlob,-ntyp:ntyp), - & dsc0(ntyp1), + & censc(3,maxlob,ntyp),gaussc(3,3,maxlob,ntyp),dsc0(ntyp1), & nlob(ntyp1) C Parameters of ab initio-derived potential of virtual-bond-angle bending integer nthetyp,ntheterm,ntheterm2,ntheterm3,nsingle,ndouble,