[gmx-users] Reg dimers

Justin A. Lemkul jalemkul at vt.edu
Mon Jul 9 15:51:05 CEST 2012

On 7/9/12 9:48 AM, Ramya LN wrote:
> Dear all,
> I have done protein-ligand dynamics.I got the final gro file.When
> converted to PDB, i observed that my active site has ligand but two
> chains of teh protein got separated. What might be the reason for
> this?should i consider this as an error in my simulation???kindly help
> me in this regard.




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


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