[gmx-users] MD simulation of peptide amphiphile using CG method

leila karami karami.leila1 at gmail.com
Fri Feb 3 09:48:09 CET 2017


Dear gromacs users,

I want to do MD simulation of peptide amphiphile using CG method.

My molecule is shown in the following link:

https://ln.sync.com/dl/db2c92bf0#i8jm6yin-5uz4tn32-nq37ewxa-3vrkmt4b

Can I use the default beads definition for my molecule (containing
hydrocarbon chain and amino acids)?

What itp files should I include in topology files?

martini_v2.2.itp
martini_v2.2_aminoacids.itp
martini_v2.0_lipids.itp
martini_v2.0_ions.itp

I am a beginner in CG method. Any help will highly be appreciated.

Best,


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