[gmx-users] protein peptide interaction
jalemkul at vt.edu
Sat Dec 23 14:29:39 CET 2017
On 12/22/17 9:35 PM, MD wrote:
> Hi Gromacs folks,
> Does it make sense to combine the protein and peptide in one pdb file for
> minimization if I want to study the protein peptide interaction? They will
> belong to two different chains in one pdb file.
That is the *only* way you can study the interaction between two
proteins. You have to supply a suitable starting configuration of both
of them, and that requires a single coordinate file.
Justin A. Lemkul, Ph.D.
Virginia Tech Department of Biochemistry
303 Engel Hall
340 West Campus Dr.
Blacksburg, VA 24061
jalemkul at vt.edu | (540) 231-3129
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