[gmx-users] question

Andrew Bostick andrew.bostick1 at gmail.com
Mon May 11 20:34:44 CEST 2015

Dear gromacs users

I have experience in MD simulation of protein and peptides by gromos force

Now I am working on a new project in which I should connect two peptides
(based on experimental data) to obtain one new peptide. This connection is
as follows:

CD atom of GLU residue from peptide 1 and NZ atom of LYS residue from
peptide 2.

1) How to make this connection (which software) to gromacs recognize this
new state.

2) Should I need to change force field parameters?

3) Should I define new residue containing Glu-Lys?

Any help will highly appreciated.

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