Re: [gmx-users] DPPC bilayer simulation crash

Hi Michael, are you simulating with a constant area, volume or pressure ensemble? If you are using the configuration you mention as a starting point and simulating it with another forcefield, as Mark pointed out, it's not unexpected to find problems. Moreover, equilibration in lipid simulations..

Re: [gmx-users] DPPC bilayer simulation crash

Michael Skaug wrote: I am trying to perform a simulation of 128 dppc in 3655 spc water. I obtained .pdb and .top files from the Biocomputing website at U.Calgary. I do nothing to alter the structure, which must be minimized as it comes err, not minimized - sampled from the ensemble they were u

[gmx-users] DPPC bilayer simulation crash

I am trying to perform a simulation of 128 dppc in 3655 spc water. I obtained .pdb and .top files from the Biocomputing website at U.Calgary. I do nothing to alter the structure, which must be minimized as it comes from the end of a 1 ns simulation. Processing the input files works fine, but the