X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2Fbond_move.f;h=4843f606c9135e6eedd5c505ec0a714fd1f920a2;hb=34b56f82298df0d9781948908b2d93415838d88e;hp=4c0761a99f270495015f8efac700f61e13f7afc9;hpb=6faa406438bff5968dc4a386929745cfaf554352;p=unres.git diff --git a/source/unres/src_MD-M/bond_move.f b/source/unres/src_MD-M/bond_move.f index 4c0761a..4843f60 100644 --- a/source/unres/src_MD-M/bond_move.f +++ b/source/unres/src_MD-M/bond_move.f @@ -8,10 +8,9 @@ C Move NBOND fragment starting from the CA(nstart) by angle PSI. include 'COMMON.GEO' include 'COMMON.CHAIN' include 'COMMON.VAR' - include 'COMMON.REFSYS' include 'COMMON.IOUNITS' include 'COMMON.MCM' - dimension x(3),e(3,3),rot(3,3),trans(3,3) + dimension x(3),e(3,3),e1(3),e2(3),e3(3),rot(3,3),trans(3,3) error=.false. nend=nstart+nbond if (print_mc.gt.2) then @@ -32,7 +31,7 @@ C Generate the reference system. i2=nend i3=nstart i4=nstart+1 - call refsys(error) + call refsys(i2,i3,i4,e1,e2,e3,error) C Return, if couldn't define the reference system. if (error) return C Compute the transformation matrix.