[gmx-users] error in ffG43a1p force field

Thamu asthamu at gmail.com
Fri Jul 24 10:50:32 CEST 2009


i am trying to run md for protein-peptide complex. the peptide has
phosphorylated tyrosine.

i got the following error when i run pdb2gmx

Fatal error:
Error in hdb file ffG43a1p.hdb:
Wrong number of control atoms (2 iso 3) on line:
   1    1    N    -C    CA

I also tried with phosphoserine, i got the same error as for
I am using gromacs-4.0.2.

I would greatly appreciate if some one help me to solve this error.

Thanking you,

Yours sincerely,
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