[gmx-users] unknown atom type HW

[nitu sharma]

Dear justin


                   I am stuck with one problem , as in your given tutorial I
made the modified ffG53a6_lipid.itp file I have removed all the HW from that
file which comes from lipid.itp .

I have done all the modification which written their is no any atom type in
ffG53a6nb_lipid.itp .But when I run the grompp command with my prepared
topology file -
;       File 'rr1.top' was generated
;       By user: nitu (504)
;       On host: localhost.localdomain
;       At date: Wed Apr  8 23:37:18 2009
;
;       This is your topology file

;  ; Include forcefield parameters
#include "ffG53a6_lipid.itp"

; Include chain topologies
#include "rr1_A.itp"
#include "rr1_B.itp"
; Include position restrain protein
#ifdef POSRES_PROTEIN
#include "rr1_A_pr.itp"
#include "rr1_B_pr.itp"
#endif

Include DMPC chain topology
#include "dmpc.itp"

; Include water topology
#include "spc.itp"

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

; Name            num
; I#include "ions.itp"

[ system ]
; Name
Protein in DMPC bilayer +Water

[ molecules ]
; Name            number
Protein_A           1
Protein_B           1
DMPC              128
SOL               3655
NA+                11

I always get error like this-Program grompp, VERSION 4.0.3
Source code file: toppush.c, line: 618

Fatal error:
Unknown atomtype HW

Please let me know what possible error give this problem.
I have try everything but this problem is still there.

Thanks


NITU SHARMA
SCHOOL OF LIFE SCIENCES
JAWAHERLAL NEHRU UNIVERSITY
NEW DELHI,
INDIA
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