[gmx-users] Peptide interactions with membrane lipids

[Aswin Sai Narain]

Hi all,

I am trying to simulate the interactions amyloid beta peptide with DPPC. I used an mdp file with:

constrain algorithm: shake

rvdw=1.0
rcoulomb=1.8

Berendsen Temperature coupling was used - 300 k, tau_t=0.1
Pressure = 1bar, tau_p=1.0

When i tried running the md i got an error that said:

1-4 interactions greater than 1

Then the simulation stopped completely.

Can anyone help me with this?

Thanks

Aswin


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