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

[Justin Lemkul]

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
Health Sciences Facility II, Room 629
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

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

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