[gmx-users] Question about biphasic tutorial

Justin Lemkul jalemkul at vt.edu
Mon Jul 27 02:15:11 CEST 2015

On 7/24/15 4:16 AM, James Lord wrote:
> Hi all,
> I want to make the the hydrophobic layer Justin has made but only have one
> .itp file from ATB for the hydrophobic layer (no topology and coordinate)?
> Any suggestion where and how to start to make this  hydrophobic layer? I am
> aware of what Justin has suggested regarding using PRODRG
> <http://davapc1.bioch.dundee.ac.uk/cgi-bin/prodrg>,. any comments?

I really don't understand what you're asking.  Can you explain your intended 
process in more detail?



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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