X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2FCOMMON.LOCAL;h=9f0627bfed4248d273265e3947602da1cf7e7a20;hb=6f877b0a7b5b4f292dd52b2b447ececb7e469044;hp=6e13319c6277c6af801ce7b6a4e33395f430a0f6;hpb=2951c9e609af806daf239c419202b721e55da3f5;p=unres.git diff --git a/source/unres/src_MD-M/COMMON.LOCAL b/source/unres/src_MD-M/COMMON.LOCAL index 6e13319..9f0627b 100644 --- a/source/unres/src_MD-M/COMMON.LOCAL +++ b/source/unres/src_MD-M/COMMON.LOCAL @@ -9,11 +9,11 @@ C Parameters of the virtual-bond-angle probability distribution 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), - &d sc0(ntyp1), + & dsc0(ntyp1), & nlob(ntyp1) C Parameters of ab initio-derived potential of virtual-bond-angle bending integer nthetyp,ntheterm,ntheterm2,ntheterm3,nsingle,ndouble, - & ithetyp(ntyp1),nntheterm + & ithetyp(-ntyp1:ntyp1),nntheterm double precision aa0thet(-maxthetyp1:maxthetyp1, &-maxthetyp1:maxthetyp1,-maxthetyp1:maxthetyp1,2), & aathet(maxtheterm,-maxthetyp1:maxthetyp1,