[gmx-users] amber-lipid

Justin A. Lemkul jalemkul at vt.edu
Mon Feb 6 14:04:51 CET 2012

Алексей Раевский wrote:
> Hi
> Is it possible to use amber forcefield with lipid parameters like it
> was done with gmx in "KALP-15 in DPPC" tutorial?
> I have to use amber forcefield as it is neccessary for parametrization
> of my ligand and its stecking interactions.

If you can find suitable parameters for you lipids, then the workflow is likely 
similar, though you may not have to create any sort of hybrid force field if the 
atom types, bonded parameters, etc are taken from an existing Amber force field.



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


More information about the gromacs.org_gmx-users mailing list