[gmx-users] MD simulation of peptide amphiphile using CG method
karami.leila1 at gmail.com
Fri Feb 3 13:01:59 CET 2017
Thanks for your answer.
> you'd best redirect this question to the Martini forum (cgmartini.nl),
> since this is more of a forcefield question than a Gromacs question.
You are right. At first, I asked my question in Martini forum, but no
one didn't answer me.
> look at the tutorials on the Martini webpage.
There are tutorials for protein and lipid molecules separately, while my
molecule contains some amino acids bonded covalently to hydrocarbon chain.
> There's also one on parametrizing a new molecule.
In this tutorial, DPGS lipid was selected for the template. In this case,
only beads were displaced, while in my molecule, there is a new covalent
bond. My main question is how to treat with that?
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