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

rama david ramadavidgroup at gmail.com
Fri Oct 10 13:56:34 CEST 2014


Dear Justin,
          Thank you.


With regards,
Rama david

On Fri, Oct 10, 2014 at 5:23 PM, Justin Lemkul <jalemkul at vt.edu> wrote:

>
>
> 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
>
> --
> ==================================================
>
> 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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