[gmx-users] Arginine_Hydrochloride topology

Justin A. Lemkul jalemkul at vt.edu
Fri Jul 29 13:32:18 CEST 2011

shahid nayeem wrote:
> Dear All 
> I am trying to find the topology and parameterof free Arginine 
> Hydrchloride molecule in gromacs force-field format. Developing it in 
> Pro-Drg will not serve as  I will need some other parametrization tool 
> to check it charges. If someone can help, I will be grateful.

Isn't this just a protonated arginine (normal state for neutral pH) with a 
chloride counterion?  There's nothing special about it, just run a coordinate 
file through pdb2gmx with the force field of your choice.



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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