[gmx-users] Using Amber Force Field in gromacs

Justin A. Lemkul jalemkul at vt.edu
Fri Oct 21 14:17:20 CEST 2011

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 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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