On Wed, 9 Jul 2008 09:50:44 +0100
Alan <[EMAIL PROTECTED]> wrote:
Hi List,
Just out of curiosity.
Is there a way of putting integrator steep and md altogether in a
unique mdp file?
Before people start to tell me "you shouldn't do it", let you know
it's just for training purposes, never for production.
"you can not do it".
Many thanks in advance.
Cheers,
Alan
--
Alan Wilter S. da Silva, D.Sc. - CCPN Research Associate
Department of Biochemistry, University of Cambridge.
80 Tennis Court Road, Cambridge CB2 1GA, UK.
http://www.bio.cam.ac.uk/~awd28<<
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-----------------------------------------------------
XAvier Periole - PhD
Molecular Dynamics Group / NMR and Computation
University of Groningen
The Netherlands
-----------------------------------------------------
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