X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2FCOMMON.TORSION;h=95472be480f4c44abef4e6124eb8a64d86735892;hb=2a20f5fb020ec764c5e3cd775cf7467fa75d22cc;hp=5f4b2b72d65819143497462d180de84da6eaaf4c;hpb=4c779763c6fed4f93d18e0d74ccec53edef720a4;p=unres.git diff --git a/source/unres/src_MD-M/COMMON.TORSION b/source/unres/src_MD-M/COMMON.TORSION index 5f4b2b7..95472be 100644 --- a/source/unres/src_MD-M/COMMON.TORSION +++ b/source/unres/src_MD-M/COMMON.TORSION @@ -24,10 +24,17 @@ C 6/23/01 - constants for double torsionals & ntermd_2(-maxtor:maxtor,-maxtor:maxtor,-maxtor:maxtor,2) C 9/18/99 - added Fourier coeffficients of the expansion of local energy C surface - double precision b1,b2,cc,dd,ee,ctilde,dtilde,b2tilde,b1tilde + double precision b1,b2,cc,dd,ee,ctilde,dtilde,b2tilde,b1tilde, + &bnew1,bnew2,eenew,ggb1,ggb2 integer nloctyp - common/fourier/ b1(2,-maxtor:maxtor),b2(2,-maxtor:maxtor) - & ,cc(2,2,-maxtor:maxtor), + common/fourier/ b1(2,maxres),b2(2,maxres), + & bnew1(3,2,-maxtor:maxtor),bnew2(3,2,-maxtor:maxtor), + & cc(2,2,-maxtor:maxtor), & dd(2,2,-maxtor:maxtor),ee(2,2,-maxtor:maxtor), + & eenew(2,-maxtor:maxtor), & ctilde(2,2,-maxtor:maxtor), - & dtilde(2,2,-maxtor:maxtor),b1tilde(2,-maxtor:maxtor),nloctyp + & dtilde(2,2,-maxtor:maxtor),b1tilde(2,maxres), + & b2tilde(2,maxres), + & gtb1(2,maxres),gtb2(2,maxres), + & nloctyp +