[gmx-users] error in phosphoserine simulation during MD

[marzieh dehghan]

Hi

Dear all

I want to simulate a protein containing phosphoserine using MD, so I place
the force field into the working directory and modified all parameters of
force field for example SEP (phosphoserine) was added as Protein in the
residuestypes.dat , but I confronted the following error?

Atom N is used in an interaction of type improper in the topology database,
but an atom of that name was not found in residue number 3.

please let me know how to solve this problem

best wishes






*Marzieh DehghanPhD of BiochemistryInstitute of biochemistry and Biophysics
(IBB)University of Tehran, Tehran- Iran.*