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Question regarding CG force field for polymers.
- sonics01
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6 years 1 month ago #7556
by sonics01
Question regarding CG force field for polymers. was created by sonics01
Hello
First of all, thank you for this CG force field. I'm totally new to CG force field and trying to learn about CG, so my questions may be strange or wrong.
I'm looking for an Coarse-Grained force field to simulate the mixing / diffusion of some polymer molecules. In my system, there are:
a) GPS (glycid-oxi-propyl-trimetil-oxi-silane, C6H14O5Si)
b) Jeffamine molecule (C9H22O2N2)
Our system has 5 atom types (C, H, O, N, Si) and 2 types of molecules (GPS and Jeffamine). I wish to run huge scale simulation for very long time. This is why I wish to use CG force field.
Are there any MARTINI CG force field which able to simulate our system?
Thank you
Best,
sonics
First of all, thank you for this CG force field. I'm totally new to CG force field and trying to learn about CG, so my questions may be strange or wrong.
I'm looking for an Coarse-Grained force field to simulate the mixing / diffusion of some polymer molecules. In my system, there are:
a) GPS (glycid-oxi-propyl-trimetil-oxi-silane, C6H14O5Si)
b) Jeffamine molecule (C9H22O2N2)
Our system has 5 atom types (C, H, O, N, Si) and 2 types of molecules (GPS and Jeffamine). I wish to run huge scale simulation for very long time. This is why I wish to use CG force field.
Are there any MARTINI CG force field which able to simulate our system?
Thank you
Best,
sonics
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- Pim
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6 years 1 month ago #7573
by Pim
Replied by Pim on topic Question regarding CG force field for polymers.
Sorry for the slow reply, the notification system was down for a while without us noticing. I replied (somewhat unsatisfactorily) in the other topic you created.
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