[gmx-users] citation for pdb2gmx -vsite hydrogens

Christopher Neale chris.neale at mail.utoronto.ca
Mon May 7 22:34:04 CEST 2012


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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