[gmx-users] steep and md all within one mdp file

Alan alanwilter at gmail.com
Wed Jul 9 10:50:44 CEST 2008

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.

Many thanks in advance.


Alan Wilter S. da Silva, D.Sc. - CCPN Research Associate
Department of Biochemistry, University of Cambridge.
80 Tennis Court Road, Cambridge CB2 1GA, UK.

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