[gmx-users] Using Amber Force Field in gromacs

[Justin A. Lemkul]

madhumita das wrote:
> Hi GROMACS users,
> 
> 
> I have generated topology and gromacs files using acpype.py .This is a 
> membrane protein and thus to be simulated along with membrane. How can I 
> use AMBER forcefield instead of GROMOS force field. Should I do the  
> same as stated in the GROMACS tutorial in which GROMOS force field has 
> been used?
>    

You should not combine different force fields, so no, you should not simply 
follow that tutorial and attempt to use a ligand topology designed for an AMBER 
force field.  The general workflow is largely the same, however, so you can 
apply the logic of the tutorial to whatever your system is.

-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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