XAvier Periole wrote:
Dears,
Anyone knows which parameterization of the Karplus equation
is implemented in g_chi ?
Hm, I'm surprised to see this isn't in the source code with a
please_cite call. My bad, this is at least one of them.
@Article{ Vuister93,
author = "G. W. Vuister and A. Bax",
title = "Quantitative {J} Correlation: A New Approach for
Measuring Homonuclear Three-Bond
{J(H$^N$-H$^{\alpha}$)} Coupling Constants in
{$^{15}$N}-Enriched Proteins",
journal = BTjacs,
year = 1993,
volume = 115,
pages = "7772-7777"
}
Smith, L.J., Sutcliffe, M.J., Redfield, C., and Dobson, C.M. 1991.
Analysis of φ and χ1 torsion angles for hen lysozyme in solution
from 1H NMR spin–spin coupling constants. Biochemistry, 30:
986–996.
@Article{ LSmith96,
author = "L. J. Smith and K. A. Bolin and H. Schwalbe and
M. W. Mac{A}rthur and J. M. Thornton and
C. M. Dobson",
title = "Analysis of Main Chain Torsion Angles in Proteins:
Prediction of {NMR} Coupling Constants for Native
and Random Coil Conformations",
journal = BTjmb,
year = 1996,
volume = 255,
pages = "494-506"
}
Best,
XAvier.
----------------------------
XAvier Periole
MD-group
University of Groningen
The Netherlands
_______________________________________________
gmx-users mailing list gmx-users@gromacs.org
http://www.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at http://www.gromacs.org/search before posting!
Please don't post (un)subscribe requests to the list. Use the www
interface or send it to gmx-users-requ...@gromacs.org.
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
--
David van der Spoel, Ph.D., Professor of Biology
Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone: +46184714205. Fax: +4618511755.
sp...@xray.bmc.uu.se sp...@gromacs.org http://folding.bmc.uu.se
_______________________________________________
gmx-users mailing list gmx-users@gromacs.org
http://www.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at http://www.gromacs.org/search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to gmx-users-requ...@gromacs.org.
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
