s.neumann08 at gmail.com
Mon Feb 6 14:09:23 CET 2012
On Mon, Feb 6, 2012 at 1:04 PM, Justin A. Lemkul <jalemkul at vt.edu> wrote:
> Алексей Раевский wrote:
>> 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
> MILES-IGERT Trainee
> Department of Biochemistry
> Virginia Tech
> Blacksburg, VA
> jalemkul[at]vt.edu | (540) 231-9080
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