[gmx-users] amide/imidic acid transition in Asparagine

[David van der Spoel]

Jiancong Xu wrote:
> hey guy,
> 
> have anyone ever worked with an imidic acid form of asparagine (i.e. with
> the side chain of -C(OH)=NH)? If you'd share a force field file with me,
> that'd be great. Thanks alot,
> 
we have done a protonated Gln, i.e. -C(OH)=NH2, that is now in the CVS 
for 3.3.1.
> Jiancong\
> 
> -----------------------------------------------------
> Jiancong Xu
> Graduate Student
> 
> Department of Chemistry and
>    Center for Biophysical Modeling and Simulation
> University of Utah
> 315 S. 1400 E. Rm 2020
> Salt Lake City, Utah 84112-0850
> 
> (801)581-8606 (office)   E-mail: jxu at hec.utah.edu
> (801)581-4353 (fax)      WWW: http://www.cbms.utah.edu/
> -----------------------------------------------------
> 
> 
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-- 
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
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se
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