[gmx-users] Regarding D-Alanine paramters
David van der Spoel
spoel at xray.bmc.uu.se
Thu Jul 12 09:07:06 CEST 2007
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
>> with best regards,
> 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 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
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