[gmx-users] Atomtype 'C' not found!

Raghunadha Reddy Burri braghuna at hgmp.mrc.ac.uk
Mon Mar 29 11:00:01 CEST 2004

Dear GMX users,

While I am using my peptide in Urea+h2o, I got fatal error please help me to 
overcome this error.

> grompp -f em.mdp -c dpep_b4em.gro -p dpep.top -o dpep_em.tpr

Warning: as of GMX v 2.0 unit of compressibility is truly 1/bar
checking input for internal consistency...
calling /lib/cpp...
processing topology...
Generated 241860 of the 241860 non-bonded parameter combinations
Generating 1-4 interactions: fudge = 0.5
Generated 241860 of the 241860 1-4 parameter combinations
Cleaning up temporary file gromppgkQJ7e
Fatal error: Atomtype 'C' not found!

My topology file last few lines (dpep.top )

; Include Position restraint file
#ifdef POSRES
#include "posre.itp"

; Include water topology
#include "urea.itp"
#include "spc.itp"

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

[ system ]
; Name
DPEP in water

[ molecules ]
; Compound        #mols
Protein             1
Urea		    1
SOL              2985

Thanx for your time and consideration, any help will be really appreciated.


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