[gmx-users] Problem in equilibration of POPS lipid bilayer

Justin Lemkul jalemkul at vt.edu
Wed Jul 8 13:59:25 CEST 2015



On 7/8/15 7:57 AM, Padmani Sandhu wrote:
> Hello all,
>
>
>
> I have generated a mixed lipid bilayer constituting POPS and POPC lipid
> molecules. I am trying to perform MD simulation but the POPS lipid
> molecules are tearing apart on energy minimization.
>

So either your coordinates are bad, the topology has a problem, your .mdp 
settings are wrong, or whatever means you've prepared the system is inadequate. 
  Unfortunately you've provided no useful information, so it's pointless to guess.

Refer to http://www.gromacs.org/Documentation/Terminology/Blowing_Up

-Justin

-- 
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Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
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University of Maryland, Baltimore
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Baltimore, MD 21201

jalemkul at outerbanks.umaryland.edu | (410) 706-7441
http://mackerell.umaryland.edu/~jalemkul

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