[gmx-users] number of coordinates does not match after POSRES

[Simon Kit Sang Chu]

Hi,

Initially, my topology file can run grompp with .mdp and .gro. However,
after putting POSRES in my mdp, the warning "number of coordinates does not
match" and there is no coordinate recognized in my topology file anymore.
Therefore, the option POSRES somehow changes everything.

The topology file is put here. Is there anything I have written incorrectly?

; Include forcefield parameters
#include "ffPACE_1.3.itp"

; Include chain topologies
#include "chainA-pace.top"
#include "chainB-pace.top"

; Include water topology
#include "cgWater.itp"

; Include topology for ions
#include "martini_v2.0_ions.itp"

[ system ]
; Name
FullP1P2 in water

[ molecules ]
; Compound        #mols
Protein_A     1
Protein_B     1`
SOL             72899
NA+             20