X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fcluster%2Fwham%2Fsrc-HCD%2Finclude_unres%2FCOMMON.CONTMAT;fp=source%2Fcluster%2Fwham%2Fsrc-HCD%2Finclude_unres%2FCOMMON.CONTMAT;h=6e5b5d52385245690d209c9e9e41c555650a0578;hb=57038e4bdff4cc9534106b25bfbd4b9a844d47fd;hp=f0b6122bbc45b8114d13a85efd1d77730ade0841;hpb=32caa3b64eb94b90fa9fd402b77263ea89efffa1;p=unres.git diff --git a/source/cluster/wham/src-HCD/include_unres/COMMON.CONTMAT b/source/cluster/wham/src-HCD/include_unres/COMMON.CONTMAT index f0b6122..6e5b5d5 100644 --- a/source/cluster/wham/src-HCD/include_unres/COMMON.CONTMAT +++ b/source/cluster/wham/src-HCD/include_unres/COMMON.CONTMAT @@ -17,8 +17,9 @@ C 12/26/95 - H-bonding contacts & facont_hb(maxconts,maxres),ees0p(maxconts,maxres), & ees0m(maxconts,maxres),d_cont(maxconts,maxres), & num_cont_hb(maxres),jcont_hb(maxconts,maxres) -C 9/23/99 Added improper rotation matrices and matrices of dipole-dipole -C interactions + double precision a_chuj,a_chuj_der + common /dipmat/ a_chuj(2,2,maxconts,maxres), + & a_chuj_der(2,2,3,5,maxconts,maxres) c 7/25/08 Commented out; not needed when cumulants used C Interactions of pseudo-dipoles generated by loc-el interactions. c double precision dip,dipderg,dipderx