[gmx-developers] Self-guided MD

Luca Monticelli luca.monticelli at unimi.it
Tue May 28 18:16:54 CEST 2002

Dear all,

I was wondering if any of you is developing an algorithm to perform
self-guided MD simulations (a new MD simulation method with improved
conformational searching efficiency; see Wu & Wang, J Phys Chem B,
(1998), 102, 7238-7350, and several others).
And even if not, is anybody interested in this?




Luca Monticelli
Centre for bio-molecular Interdisciplinary Studies
and Industrial applications
University of Milan, Italy
Istituto di Chimica del Riconoscimento Molecolare
C.N.R., Milano, Italia
e-mail: luca.monticelli at unimi.it
phone: +39 02 2850 0031
fax:   +39 02 2850 0036

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