X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2FCOMMON.TORSION;h=551505819e0977cc55e58ca2613b0e823a01a80f;hb=833a316033dd117cdeafab0decaf3da2a0b83eb4;hp=5f4b2b72d65819143497462d180de84da6eaaf4c;hpb=ab43e2f34f74d224c31861c7ffda1bead589c7a8;p=unres.git diff --git a/source/unres/src_MD-M/COMMON.TORSION b/source/unres/src_MD-M/COMMON.TORSION index 5f4b2b7..5515058 100644 --- a/source/unres/src_MD-M/COMMON.TORSION +++ b/source/unres/src_MD-M/COMMON.TORSION @@ -24,10 +24,18 @@ 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,gtb1,gtb2,eeold,gtee integer nloctyp - common/fourier/ b1(2,-maxtor:maxtor),b2(2,-maxtor:maxtor) - & ,cc(2,2,-maxtor:maxtor), - & dd(2,2,-maxtor:maxtor),ee(2,2,-maxtor:maxtor), + common/fourier/ b1(2,maxres),b2(2,maxres),b(13,0:maxtor), + & bnew1(3,2,-maxtor:maxtor),bnew2(3,2,-maxtor:maxtor), + & cc(2,2,-maxtor:maxtor), + & dd(2,2,-maxtor:maxtor),eeold(2,2,-maxtor:maxtor), + & eenew(2,-maxtor:maxtor), + & ee(2,2,maxres), & 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),gtEE(2,2,maxres), + & nloctyp +