[gmx-users] a question related to force field on terminal residues

[Justin A. Lemkul]

Acoot Brett wrote:
> Dear All,
> Will you please tell me how different Groamcsr forcefields (including 
> the AMBER ones) treat the N-termijnal and C-terminal residues differently?

You'll have to be a bit more specific.  Are you referring to the mechanism used 
by pdb2gmx for termini selection or to the actual bonded and nonbonded 
calculations themselves?

-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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