[gmx-users] Re: Protein ligand simulation

[Justin A. Lemkul]

bharat gupta wrote:
> Yes, I prepared the protein file separately using pdb2gmx and then I 
> pasted the ligand manually from the docked file. 
> 

Then you prepared it incorrectly.  You need to use the right units.

-Justin

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Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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