# [gmx-developers] A mistake in the user-manual for langevian dynamics

Jinglong Zhu z19900806jl at sina.com
Thu May 19 18:36:02 CEST 2016

Hey guys,
I found a small mistake in the user-manual.
For version 2016, in the chapter "Stochastic Dynamics", in formula (3.115). In stead of (1-\alpha^2), it should be (1-(1-\alpha)^2). Otherwise as \alpha goes to zero, the scheme wouldn't converge to the leap-frog scheme.
I also checked the code(file update.c), it is correct. I just want to report this in case someone take the formula from the manual and make further mistakes.

Best regards,Jinglong--------------------------------

Jinglong
Zhu

PhD Candidate in
Computational
Mathematics

School of
Mathematical
Sciences

Peking University
Beijing,100871
P.R.China

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