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How to setup CG martini for PEG-35K (800 monomers)
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9 years 11 months ago #3794
by suwipa
How to setup CG martini for PEG-35K (800 monomers) was created by suwipa
My name is Suwipa Saen-oon, a researcher at Barcelona Supercomputing Center in Barcelona.
I am currently starting a project on simulation of polymers mixtures containing PEG-35K, TritonX100 and Fluka molecule. We want to perform CG simulations using Martini force field to study the properties of this mixture to understand some behavior observed from our collaborated experiment group.
Fortunately, the CG Martini for PEG has been developed and published, so I will use this as a reference. However, in this provided template, 1 chain of PEG contains 36 monomers (martini_v2.0_polymers.itp), while in PEG-35K contains almost 800 monomers.
I would like to ask for advice how can I set up the CG Martini forcefield for this PEG-35K and another molecules.
Thank you
I am currently starting a project on simulation of polymers mixtures containing PEG-35K, TritonX100 and Fluka molecule. We want to perform CG simulations using Martini force field to study the properties of this mixture to understand some behavior observed from our collaborated experiment group.
Fortunately, the CG Martini for PEG has been developed and published, so I will use this as a reference. However, in this provided template, 1 chain of PEG contains 36 monomers (martini_v2.0_polymers.itp), while in PEG-35K contains almost 800 monomers.
I would like to ask for advice how can I set up the CG Martini forcefield for this PEG-35K and another molecules.
Thank you
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