[gmx-users] Topology error

[archana sonawani]

Dear Sir/Madam,

For orienting the protein and membrane, I have used the .mdp and following
topology file:

;
;	File 'topol_popc.top' was generated
;	By user: jalemkul (502)
;	On host: bevany.biochem.vt.edu
;	At date: Fri Oct 20 13:26:53 2006
;
;	This is your topology file
;
; Include chain topologies
#include "gromos53a6_lipid.ff/forcefield.itp"
#include "popc.itp"

; Include water topology
#include "gromos53a6_lipid.ff/spc.itp"

; Include ion topologies
#include "gromos53a6_lipid.ff/ions.itp"

; System specifications
[ system ]
60-Lipid POPC Bilayer

[ molecules ]
; molecule name nr.
POPC 60
SOL 1536

After running grompp to generate .tpr file I get following error:

Program grompp, VERSION 4.5.4

Source code file: gmxcpp.c, line: 248



Fatal error:

Topology include file "gromos53a6_lipid.ff/forcefield.itp" not found


But in the above topology file, if I change the

 #include "gromos53a6_lipid.ff/forcefield.itp" line to *;*include
"gromos53a6_lipid.ff/forcefield.itp"


I get following error:


Program grompp, VERSION 4.5.4

Source code file: topio.c, line: 653



Fatal error:

Syntax error - File popc.itp, line 1

Last line read:

'[ moleculetype ]'

Invalid order for directive moleculetype


Can anyone help me out...Thanks in adv
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20111121/dcf6f628/attachment.html>