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Hybrid simulations
- robraunjp
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12 years 2 months ago #919
by robraunjp
Hybrid simulations was created by robraunjp
Hello,
I intend to simulate a hybrid system, with CG (membrane) and atomic (peptide) parts. I have read Rzepiela et al (Phys. Chem. Chem. Phys., 2011, 13, 10437–10448), but I did not understand how to define the virtual sites mentioned in the paper. Is there a tutorial on how to perform hybrid simulations? Any tips on this?
Thank you in advance,
Rodrigo
I intend to simulate a hybrid system, with CG (membrane) and atomic (peptide) parts. I have read Rzepiela et al (Phys. Chem. Chem. Phys., 2011, 13, 10437–10448), but I did not understand how to define the virtual sites mentioned in the paper. Is there a tutorial on how to perform hybrid simulations? Any tips on this?
Thank you in advance,
Rodrigo
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- andrzej
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12 years 1 month ago #922
by andrzej
Replied by andrzej on topic Hybrid simulations
Hey,
Tsjerk Wassenar and Lars Schaefer are working with such a systems (bilayer + peptide). Ask them directly for a set up of a system that they use. Maybe they can provide you with a full exemple.
Andrzej
Tsjerk Wassenar and Lars Schaefer are working with such a systems (bilayer + peptide). Ask them directly for a set up of a system that they use. Maybe they can provide you with a full exemple.
Andrzej
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