[gmx-users] difference in force fields.

[Justin A. Lemkul]

swati patel wrote:
> helo justin,
> 
> yess since i am dealing with a complex,so i generated protein topology 
> using gromos96 43a1 force fields and for ligands,obtained topology using 
> PRODRG which uses gromos 87 force fields.
> 
> How to obtain similar force fields topologies since PRODRG only works 
> with gromos87 force fields and in gromacs i choosed optipn (9)i.e.gromos 
> 96 force fields.??
> 

This is not true.  There is a newer PRODRG server that creates topologies for 
Gromos96.  Their quality is not particularly high, as noted on this list on a 
weekly basis, and in the literature.  Please see the paper linked from:

http://www.gromacs.org/Downloads/Related_Software/PRODRG#Tips

-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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