[gmx-users] Peptide interactions with membrane lipids
Aswin Sai Narain
aswin_biogenie at yahoo.co.uk
Sat Oct 11 20:10:02 CEST 2003
I am trying to simulate the interactions amyloid beta peptide with DPPC. I used an mdp file with:
constrain algorithm: shake
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?
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the gromacs.org_gmx-users