[gmx-users] Hydrophobic cores

Justin A. Lemkul jalemkul at vt.edu
Wed Nov 30 19:26:50 CET 2011

김현식 wrote:
> Dear Experts,
> Hi,
> Is there any tools in gromacs to get "Hydrophobic cores" of protein ?

I suppose that depends on what your definition is, but in all likelihood no, not 
directly.  A program like g_sas can give you nonpolar and polar surface areas as 
well as volumes and surface atoms, which, through crafty use of index groups, 
may provide you with something useful.



Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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