[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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