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<div style="font-family: Tahoma; font-size: 13px;">Hi, I am a Phd student studying polymer membranes.</div>
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I have installed Gromacs version 4.5.2 on our department cluster and attempted to run a simulations on a DPPC bilayer membranes taken from the tielleman website.</div>
<div style="font-family: Tahoma; font-size: 13px;">I have set the system up in an NPT ensemble using a semi-isotropic pressure coupling.
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<div style="font-family: Tahoma; font-size: 13px;">The simulation seems to run perfect in serial however I am having problems to run the simulation in parallel.</div>
<div style="font-family: Tahoma; font-size: 13px;">I understand that this version of Gromacs uses threading to parallelise the system. I wanted to know whether it is possible to run this using openmpi and if not how do i use this thread base parallelisation.</div>
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<div style="font-family: Tahoma; font-size: 13px;">Many Thanks</div>
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<div style="font-family: Tahoma; font-size: 13px;">Selina</div>
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