X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;ds=sidebyside;f=source%2Funres%2Fsrc_MD-M%2FCOMMON.TORSION;h=5f4b2b72d65819143497462d180de84da6eaaf4c;hb=e9b0405cc001120f54fb30c8ecdf5830249d0493;hp=f6837cf9aa38ffdb008783fc51b40d16cdfd19db;hpb=b4662dbad52b91578a5cda22124037728093c6ed;p=unres.git diff --git a/source/unres/src_MD-M/COMMON.TORSION b/source/unres/src_MD-M/COMMON.TORSION index f6837cf..5f4b2b7 100644 --- a/source/unres/src_MD-M/COMMON.TORSION +++ b/source/unres/src_MD-M/COMMON.TORSION @@ -6,7 +6,7 @@ C Torsional constants of the rotation about virtual-bond dihedral angles & v2(maxterm,-maxtor:maxtor,-maxtor:maxtor,2), & vlor1(maxlor,-maxtor:maxtor,-maxtor:maxtor), & vlor2(maxlor,maxtor,maxtor),vlor3(maxlor,maxtor,maxtor), - & itortyp(-ntyp:ntyp),ntortyp, + & itortyp(-ntyp1:ntyp1),ntortyp, & nterm(-maxtor:maxtor,-maxtor:maxtor,2), & nlor(-maxtor:maxtor,-maxtor:maxtor,2) & ,nterm_old @@ -24,7 +24,7 @@ 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 + double precision b1,b2,cc,dd,ee,ctilde,dtilde,b2tilde,b1tilde integer nloctyp common/fourier/ b1(2,-maxtor:maxtor),b2(2,-maxtor:maxtor) & ,cc(2,2,-maxtor:maxtor),