They are published in the paper by smith et al. (J. Phys. Chem. B 2004,
108, 1065-1071) and have also been posted previously on this mailing list
(both of which can be found through a simple search). Please note that the
parameters posted on the mailing list are not quite correct as they have
they have the force constant for the impropers in kJ/mol/deg^2 not in
kJ/mol/rad^2.
Cheers
Tom
--On Tuesday, November 17, 2009 07:49:01 -0500 "Justin A. Lemkul"
<jalem...@vt.edu> wrote:
karan syal wrote:
Dear All,
I am looking for urea topology* (smith et al) *for gromos 96 force
field. I tried searching through user contributions in gromacs site but
couldnt find it. Is it possible for anyone who has already used it to
mail me their toplogy file?
If the parameters are published, you should probably contact the
corresponding author to see if they will share.
-Justin
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
========================================
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TJ Piggot
t.pig...@bristol.ac.uk
University of Bristol, UK.
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