[gmx-users] Query in protein insertion in membrane
jalemkul at vt.edu
Thu Dec 4 03:39:00 CET 2014
On 12/3/14 9:29 PM, Priya Das wrote:
> Dear Sir,
> Yes it is a large protein. Should i increase the cut off radius or should i
> decrease the scaling factor to acheive a good insertion.
I have no idea what you mean by "achieve a good insertion." At this point, all
that's happened is precisely what you should expect. You have a big protein
that overlaps a bunch of lipids. Those lipids got deleted. What is the issue?
> On Dec 4, 2014 3:20 AM, "Justin Lemkul" <jalemkul at vt.edu> wrote:
>> On 12/3/14 7:21 AM, Priya Das wrote:
>>> Dear All,
>>> i have inserted protein in infalted lipid bilayer. (512 lipids)
>>> I need to delete almost 100 lipids.
>>> So should i reduce the scaling factor or increase the cutoff radius in
>> Why is that a problem? Presumably you just have a very large protein.
>> perl inflategro.pl system.gro 4 DPPC 14 system_inflated.gro 5 area.dat
>> 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
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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
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