X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2FCOMMON.TORSION;h=3f1b9813d34a708a305d2dca68edac17a94bf8a6;hb=39aaaf5f5ec4de449f18993aacdec4b43cabb1b0;hp=95472be480f4c44abef4e6124eb8a64d86735892;hpb=2a20f5fb020ec764c5e3cd775cf7467fa75d22cc;p=unres.git diff --git a/source/unres/src_MD-M/COMMON.TORSION b/source/unres/src_MD-M/COMMON.TORSION index 95472be..3f1b981 100644 --- a/source/unres/src_MD-M/COMMON.TORSION +++ b/source/unres/src_MD-M/COMMON.TORSION @@ -25,16 +25,17 @@ C 6/23/01 - constants for double torsionals 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, - &bnew1,bnew2,eenew,ggb1,ggb2 + &bnew1,bnew2,eenew,gtb1,gtb2,eeold,gtee integer nloctyp 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), + & 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,maxres), & b2tilde(2,maxres), - & gtb1(2,maxres),gtb2(2,maxres), + & gtb1(2,maxres),gtb2(2,maxres),gtEE(2,2,maxres), & nloctyp