[gmx-users] dg/dl unit

Justin MacCallum jlmaccal at ucalgary.ca
Fri Nov 4 01:51:43 CET 2005

Hi Michael,

I'd like to see slow growth left in. As you mentioned its still  
useful for Jarzynzski type things. Also, I use it for a number of  
other nefarious purposes such as inserting small molecules into  
bilayers at various locations in an automated fashion. I'm not  
calculating the free energy, but its nice to be able to start with a  
ghost particle and turn it into a real one. Its much more reliable  
than trying to insert the molecule than energy minimize, especially  
when setting up hundreds of simulations.


Justin MacCallum
PhD Student
Departement of Biological Sciences
University of Calgary

email: jlmaccal at ucalgary.ca
web: moose.bio.ucalgary.ca

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