[gmx-users] mdp file
Mark.Abraham at anu.edu.au
Wed Oct 21 12:58:40 CEST 2009
leila karami wrote:
> I want to creat mdp file for energy minimization (em.mdp). if I want to
> minimize my system (pr+dna), by steepest descent and conjugate gradient
> such as for example 100 steps by steepest descent and 100 steps by
> conjugate gradient, how I can creat mdp file?
For example, take one from a tutorial, consider whether each parameter
is suitable for your needs, change as suitable, use.
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