[gmx-users] looking for help about the generating of opls forcefield

Mark Abraham Mark.Abraham at anu.edu.au
Wed Mar 26 09:20:50 CET 2008

zhuliang at tju.edu.cn wrote:
> Hi all:
>    How are you! I want to simulate the solution structure of a amino sugar
> gromacs, but I have no force field parameter about it. I have tried to obtain its
> forcefile parameter through prodrg and antechamber, and try my best to refine it.
> however, both calculated results with these forcefield parameter were unsatisfied.
> I hope someone can give me a hand if you have experience with generating ff
> parameter or you have interests. Thank you in advance!

Check out http://wiki.gromacs.org/index.php/Parameterization

Parameter development is not a recommended way for someone to begin 
their GROMACS and/or MD experience.


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