[gmx-users] citation for pdb2gmx -vsite hydrogens

[Erik Marklund]

That's the one.

7 maj 2012 kl. 22.34 skrev Christopher Neale:

> Dear users:
> 
> I am writing my methods section for a simulation in which I used -vsites hydrogens and I want to ensure that I have the reference correct. The gmx-4.5.4 manual does not list a reference that I could see for this usage by searching "vsites".
> 
> Is this the correct reference:
> 
> Feenstra, Hess, Berendsen, J. Comput. Chem. 1999, 20(8), pp786-798
> http://onlinelibrary.wiley.com/doi/10.1002/(SICI)1096-987X(199906)20:8%3C786::AID-JCC5%3E3.0.CO;2-B/abstract
> 
> Thank you,
> Chris.
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-----------------------------------------------
Erik Marklund, PhD
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,    75124 Uppsala, Sweden
phone:    +46 18 471 6688        fax: +46 18 511 755
erikm at xray.bmc.uu.se
http://www2.icm.uu.se/molbio/elflab/index.html

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