[gmx-users] (no subject)

[C Johnson]

> Maybe I don't fully understand your objective, but if you're just interested in 
> secondary structure stability as a function of distance between two species, a 
> slow steered MD run could accomplish that; you don't need umbrella sampling.  If 
> you're trying to get free energies associated with different configurations, 
> however, then getting the PMF is a suitable method.

> -Justin

I'd like to be able to have a single peptide with the N-terminus anchored and pull the C-terminus with constant
velocity so that a force vs displacement plot could be generated.
 		 	   		  
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