GROMACS version: 2018.6
GROMACS modification: No
I am very new to using gromacs, so I would appreciate any input.
I am trying to set up a system of NaCl (JC) in water(spce) . I was able to run the tutorial simulation of lysozome in water. But in this the topology file was created rather easily using pdb2gmx. I dont know how to create a topology file for water in nacl system.
I tried generating a box of water using
gmx solvate -box 11 -cs spc216.gro
But am not able to proceed with replacing water with ions using genions because when i try to use grompp it shows fatal error.
This is the topology file i used
And this is the error I am getting
Program: gmx grompp, version 2018.6
Source file: src/gromacs/gmxpreprocess/topio.cpp (line 799)
Syntax error - File spc.itp, line 1
Last line read:
‘[ moleculetype ]’
Invalid order for directive moleculetype