[gmx-users] Regarding D-Alanine paramters

[David van der Spoel]

Mark Abraham wrote:
> 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)
> 
and: which force field?

-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++