The inscnd and inscfg options are deprecated in ver 0.3.
At the moment (ver 0.3.alpha5), they are converted into new options through
select case(inscnd)
case(0)
insorigin = 0 ; insposition = 0
case(1)
insorigin = 3 ; insposition = 1
case(2)
insorigin = 3 ; insposition = 2
case(3)
insorigin = 1 ; insposition = 4
end select
select case(inscfg)
case(0)
insposition = 0 ; insorient = 1
case(1)
insposition = 0 ; insorient = 0
case(2)
insposition = 3 ; insorient = 0
end select
in subroutine iniparam of setconf.F90.
The inscfg part overwrites the insposition in the inscnd part, however.
To achieve the compatibility withe the inscnd operations, the inscfg part needs to be
select case(inscfg)
case(0)
insorient = 1
case(1)
insorient = 0
case(2)
insorient = 0 ; insposition = 3
end select
I will check the other parts and will post an upgrade.
The corresponding comments in engmail.F90 (lines 86 and 87) need be corrected, too.
When insposition = 3 (use the coordinate as read from the file), insorigin can only be 0; ermod should halt in subroutine iniparam of setconf.F90 when insposition = 3 and insorigin /= 0.
When insorigin = 2 is not necessary since it is the same as insorigin = 0. Note that the solute COM is displaced to (0,0,0) unless insposition = 3. Note that insorigin = 2 and insposition = 3 is meaningless since insposition = 3 uses the coordinate as read from the file (see the above).
Even in soln, insorigin and insposition need not be 0. Their non-zero values can be used to select the configurations with specified range within micelle or membrane in subroutine check_mol_configuration of engproc.F90
