;
;	File 'topol.top' was generated
;	By user: michele (501)
;	On host: Micheles-MacBook-Pro.local
;	At date: Tue Apr 20 09:48:45 2021
;
;	This is a standalone topology file
;
;	Created by:
;	                     :-) GROMACS - gmx pdb2gmx, 2019 (-:
;	
;	Executable:   /usr/local/gromacs/bin/gmx
;	Data prefix:  /usr/local/gromacs
;	Working dir:  /Users/michele/AURKB-ACTIVE/PCA_ANAL/NOP
;	Command line:
;	  gmx pdb2gmx -f start.pdb
;	Force field was read from the standard GROMACS share directory.
;

; Include forcefield parameters
#include "charmm36-nov2018.ff/forcefield.itp"

; Include chain topologies
#include "topol_Protein_chain_X.itp"
#include "topol_Protein_chain_X2.itp"
#include "topol_Ion_chain_X3.itp"
#include "topol_Other_chain_X4.itp"

; Include water topology
#include "charmm36-nov2018.ff/tip3p.itp"

#ifdef POSRES_WATER
; Position restraint for each water oxygen
[ position_restraints ]
;  i funct       fcx        fcy        fcz
   1    1       1000       1000       1000
#endif

; Include topology for ions
#include "charmm36-nov2018.ff/ions.itp"

[ system ]
; Name
Protein

[ molecules ]
; Compound        #mols
Protein_chain_X     1
Protein_chain_X2     1
Ion_chain_X3        1
Other_chain_X4      1
NA               104
CL               115