[gmx-users] Fatal error: No atoms found in .rtp file in residue pairs

[Shima Arasteh]

Dear gmx users,

I  want to simulate a peptide in water. The peptide has a formyl residue as the N-terminus. I got the parameters of it and then add it to the .rtp file of charmm36.ff  as below:

[ For ]
 [ atoms ]
;      name    type   charge   chargegroup
        C      C      0.4500       0
        O       O    -0.5700       0
 [ bonds ]
; ai aj fu b0 kb, b0 kb 
  1   2 1 0.12220  779866.6  0.12220  779866.6 

 [ pairs ]
; ai aj fu 

[ angles ] 
; ai aj ak fu th0 kth ub0 kub th0 kth ub0 kub 
  2   1   3 1  123.4390  403.48    123.4390  403.48 
  2   1   4 1  123.4390  403.48    123.4390  403.48 
 
[ dihedrals ] 
; ai aj ak al fu phi0 kphi mult phi0 kphi mult 


But when I do what I described,  I face this fatal error:Fatal error:
No atoms found in .rtp file in residue pairs

Would you help me with this problem? Did I add the formyl in a wrong way?

Thanks,
Shima
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