[gmx-users] problem with Lipid.itp and dppc.itp

Yuhua Song yhsong at ccb.wustl.edu
Wed Oct 29 02:51:01 CET 2003


I download the DPPC64.pdb, dppc.itp and lipid.itp from Peter Tieleman's group website, when I generate the *.tpr file use grompp,
it shows the following fatal error information:
Fatal error: Atomtype 'C' not found!

I do not know what is wrong here. The following is my *.top file

; Include forcefield parameters
#include "lipid.itp"
; Include chain topologies
#include "dppc.itp"
; Include water topology
#ifdef FLEX_SPC
#include "flexspc.itp"
#include "spc.itp"
; Position restraint for each water oxygen
[ position_restraints ]
;  i funct       fcx        fcy        fcz
   1    1       1000       1000       1000
[ system ]
; Name
Pure DPPC bilayer with 64 lipids and 3846 water molecules
[ molecules ]
; Compound        #mols
DPPC               64
SOL              3846

If you can give me some hints about why this fatal error happened, what
cause this, I will very appreciate.

Thank you very much,


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