Hello,
I am new in Gromacs, and I am trying to simulate the interaction between a DOPC
membrane and a protein.
I have equilibrated my system at constant volume and now I would like to switch
to constant pressure.
I think the best option for me is to use ANISOTROPIC pressure, because I want
to study the ondulations produced in the membrane due to the protein. Do you
recommend anisotropic pressure for this? or semiisotropic would be enough?
Another question is about the values of tau_p and ref_p. I have read in the
manual that in the case of anisotropic pressure I should use 6 values. Which
values do you recommend to use? Should I use also 6 values for compressibility
and ref_p? Pcoupl = BerendsenPcoupltype = anisotropictau_p = 2.0
2.0 2.0 2.0 2.0 2.0 compressibility = 4.5e-5 4.5e-5 4.5e-5 4.5e-5
4.5e-5 4.5e-5ref_p = 1.0 1.0 1.0 1.0 1.0 1.0 Thank you very much
for your help in advance. Best wishes, Rebeca García FandiñoParc Cientific de
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