[gmx-users] Re: Membrane Runs Crashing
nshafique at wesleyan.edu
Thu Jun 20 15:41:15 CEST 2013
Justin Lemkul wrote
> What was the outcome of EM before this? What if you try NVT before NPT?
> you tried reducing the timestep or the value of nstlist?
> I would try everything with ref_p = 1.0 instead of zero to make sure you
> can get
> a "normal" setup to work.
The membrane I am using is pre-equilibrated at 325 K and zero surface
tension according to the Martini website, so I felt like energy minimization
was unnecessary. I have tried reducing the value of nstlist, but to no
avail. I have not tried reducing the time step as this time step seems to be
on the lower side of what is acceptable for Martini parameters already.
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