Dear Krystle,
This is pretty simple to fix, you just have to change a little of the CNS input file below the 'things below this line do not normally need to be changed' point.
In v1.2, the refine.inp looks like this:
...
{===========================================================================}
{ things below this line do not normally need to be changed }
{===========================================================================}
) {- end block parameter definition -}
{- read define parameters if file &defaults_file exists -}
if ( &BLANK%defaults_file = false ) then
fileexist &defaults_file end
if ( $result = true ) then
inline @&defaults_file
end if
end if
checkversion 1.2
evaluate ($log_level=quiet)
{- read topology files -}
topology
if ( &BLANK%topology_infile_1 = false ) then
@@&topology_infile_1
end if
if ( &BLANK%topology_infile_2 = false ) then
@@&topology_infile_2
end if
if ( &BLANK%topology_infile_3 = false ) then
@@&topology_infile_3
end if
if ( &BLANK%topology_infile_4 = false ) then
@@&topology_infile_4
end if
if ( &BLANK%topology_infile_5 = false ) then
@@&topology_infile_5
end if
end
...
If you change it to this:
...
if ( &BLANK%topology_infile_5 = false ) then
@@&topology_infile_5
end if
if ( &BLANK%topology_infile_6 = false ) then
@@&topology_infile_6
end if
end
...
It SHOULD work.
Yours,
Frank
--
=============
Frank V. Murphy
Beamline Scientist, NECAT