[gmx-users] Umbrella Sampling Replica Exchange

[Hermann, Johannes]

Dear all,

I was surprised that my Google search for Replica Exchange for Umbrella 
sampling using Gromacs did not yield a positive result.

Is it really not possible to perform HRE for US within the framework of 
Gromacs?

Thanks in advance for any answer, hint, or tutorial!

All the best

Johannes

-- 
______________________________________
*Technische Universität München*
*Johannes Hermann, M.Sc.*
Lehrstuhl für Bioverfahrenstechnik
Boltzmannstr. 15
D-85748 Garching
Tel: +49 8928915730
Fax: +49 8928915714

Email: j.hermann at lrz.tum.de
http://www.biovt.mw.tum.de/