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
[EMAIL PROTECTED]       [EMAIL PROTECTED]   http://folding.bmc.uu.se
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