[Towhee-users] mentioning 3 molecules in the towhee input

[Mohan M. <mar...@gm...>]

Hi all,
             Sorry for troubling all you. I  am a novice user  and unable
to understand the input file. I have three molecules kaolinite+ methane +
sodium. So i mentioned nmoltyp as 3
the i got error for nmolectyp, then i give nmolectyp 1 2 50 50 for all
three molecules, then I got the error "Error reading float array for label
chempot".

My input file is as follows , I am not mentioning the input lines for
kaolinite. I am writing these lines below kaolinite input lines in input
file,

#Methane
input_style
'basic connectivity map'
nunit
1
nmaxcbmc
1
lpdbnames
F
forcefield
'Dubb2004'
charge_assignment
'none
unit ntype
1    'CH4'
vibration
0
improper torsion
0
#sodium
input_style
'basic connectivity map'
nunit
1
nmaxcbmc
1
lpdbnames
F
forcefield
'Dubb2004'
charge_assignment
'none
unit ntype
1    'Na'
vibration
0
improper torsion
0

why it is not considering 3 molecules? How to give nmolectyp if more  than
2 molecules are present?


Thanks & regards,
Mohan