[gmx-users] Urea Topology

TJ Piggot t.piggot at bristol.ac.uk
Wed Nov 18 17:41:05 CET 2009

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 



--On Tuesday, November 17, 2009 07:49:01 -0500 "Justin A. Lemkul" 
<jalemkul at 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.piggot at bristol.ac.uk
University of Bristol, UK.

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