X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2FCOMMON.CONTACTS;fp=source%2Funres%2Fsrc_MD-M%2FCOMMON.CONTACTS;h=45c578bdb5bba0dc507fd31483cbc03c852d10fe;hb=39aaaf5f5ec4de449f18993aacdec4b43cabb1b0;hp=4b81714d82e54cb42b3da85501fd92e8cce41aea;hpb=2a20f5fb020ec764c5e3cd775cf7467fa75d22cc;p=unres.git diff --git a/source/unres/src_MD-M/COMMON.CONTACTS b/source/unres/src_MD-M/COMMON.CONTACTS index 4b81714..45c578b 100644 --- a/source/unres/src_MD-M/COMMON.CONTACTS +++ b/source/unres/src_MD-M/COMMON.CONTACTS @@ -28,7 +28,8 @@ 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,gmu,gUb2 - & DUg,DUgder,DtUg2,DtUg2der,Ctobr,Ctobrder,Dtobr2,Dtobr2der + & DUg,DUgder,DtUg2,DtUg2der,Ctobr,Ctobrder,Dtobr2,Dtobr2der, + & gtEug common /rotat/ Ug(2,2,maxres),Ugder(2,2,maxres),Ug2(2,2,maxres), & Ug2der(2,2,maxres),obrot(2,maxres),obrot2(2,maxres), & obrot_der(2,maxres),obrot2_der(2,maxres) @@ -40,7 +41,7 @@ C amino-acid residue. & Dtobr2(2,maxres),Dtobr2der(2,maxres), & EUg(2,2,maxres),EUgder(2,2,maxres),CUg(2,2,maxres), & CUgder(2,2,maxres),DUg(2,2,maxres),Dugder(2,2,maxres), - & DtUg2(2,2,maxres),DtUg2der(2,2,maxres) + & DtUg2(2,2,maxres),DtUg2der(2,2,maxres),gtEUg(2,2,maxres) C This common block contains vectors and matrices dependent on two C consecutive amino-acid residues. double precision Ug2Db1t,Ug2Db1tder,CUgb2,CUgb2der,EUgC,