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

Justin A. Lemkul jalemkul at vt.edu
Mon Apr 2 00:52:56 CEST 2012

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 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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