[gmx-users] lipid membrane study and the increase in z dimension on dppc128.gro

[Justin Lemkul]

On 10/10/14 7:51 AM, rama david wrote:
> Dear Justin,
>   Thank you  a lot for immediate reply.
>   One more question:
>     Should I need to equilibriate the membrane after this one  ??
>

Even Tieleman's pre-equilibrated membranes are only from a few ns of simulation 
time; I would always equilibrate much longer.  So of course in the case where 
you change the system even more, you should definitely equilibrate.

-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 601
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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