[gmx-users] problem obtaining similar force fields for protein and ligand

Mark Abraham Mark.Abraham at anu.edu.au
Fri Nov 18 15:18:09 CET 2011


On 18/11/2011 6:54 PM, swati patel wrote:
> Hello Users,
>
> I am facing a problem in obtaining topologies for my ligand.I tried 
> working on acpype,bt it seems very complex to me.PRODRG is easy but it 
> uses gromos87 force field.PRODRG 2.5 is still not available for download.
>
> can anyone suggest me how to obtain topologies for my protein and 
> ligand using same force fields?

Suggestions can be found here - 
http://www.gromacs.org/Documentation/How-tos/Steps_to_Perform_a_Simulation

Mark



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