Andreas Steffen wrote:
hi,
is there an adequate forcefield in gromacs for dealing with
carbohydrates (cyclodextrin) or do I have to map the atoms to the
protein atom types?
Thanks in advance!
Andreas.
try starting with prodrg
--
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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