X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2FCOMMON.CONTACTS;h=4b81714d82e54cb42b3da85501fd92e8cce41aea;hb=2a20f5fb020ec764c5e3cd775cf7467fa75d22cc;hp=5b3a90d2f3606a4d608f7e50c261a7af71d82317;hpb=4c779763c6fed4f93d18e0d74ccec53edef720a4;p=unres.git diff --git a/source/unres/src_MD-M/COMMON.CONTACTS b/source/unres/src_MD-M/COMMON.CONTACTS index 5b3a90d..4b81714 100644 --- a/source/unres/src_MD-M/COMMON.CONTACTS +++ b/source/unres/src_MD-M/COMMON.CONTACTS @@ -27,7 +27,7 @@ c & dipderx(3,5,4,maxconts,maxres) C 10/30/99 Added other pre-computed vectors and matrices needed C to calculate three - six-order el-loc correlation terms double precision Ug,Ugder,Ug2,Ug2der,obrot,obrot2,obrot_der, - & obrot2_der,Ub2,Ub2der,mu,muder,EUg,EUgder,CUg,CUgder, + & obrot2_der,Ub2,Ub2der,mu,muder,EUg,EUgder,CUg,CUgder,gmu,gUb2 & DUg,DUgder,DtUg2,DtUg2der,Ctobr,Ctobrder,Dtobr2,Dtobr2der common /rotat/ Ug(2,2,maxres),Ugder(2,2,maxres),Ug2(2,2,maxres), & Ug2der(2,2,maxres),obrot(2,maxres),obrot2(2,maxres), @@ -35,6 +35,7 @@ C to calculate three - six-order el-loc correlation terms C This common block contains vectors and matrices dependent on a single C amino-acid residue. common /precomp1/ mu(2,maxres),muder(2,maxres),Ub2(2,maxres), + & gmu(2,maxres),gUb2(2,maxres), & Ub2der(2,maxres),Ctobr(2,maxres),Ctobrder(2,maxres), & Dtobr2(2,maxres),Dtobr2der(2,maxres), & EUg(2,2,maxres),EUgder(2,2,maxres),CUg(2,2,maxres),