[gmx-users] Regarding D-Alanine paramters

Mark Abraham Mark.Abraham at anu.edu.au
Thu Jul 12 08:46:09 CEST 2007

naga raju wrote:
> Dear gmx users,
>                In my protein instead of L-Alanine, I
> would like to take D-Alanine. To this modification,
> which parameters in L-Alanine to be modified to treat
> as D-Alanine.
>        Any suggestion is appreciated. Thank you in
> advance.
>                           with best regards,
>                               Nagaraju

So what are the physical differences between L-alanine and D-alanine? 
How do these interact with a force field description? (See Chapters 4 
and 5 of the manual)


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