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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