[gmx-developers] where to find GB code

Maarten Wolf maarten_wolf at yahoo.co.uk
Thu Apr 21 11:16:38 CEST 2005


Hi all,
 
I am working on free energy difference calculations of large systems. It is not feasible to perform TI or FEP, but there are some methods availabel like GB/SA. For this method I need to calculate the polarization free energy of a system with an impisit solvent technique. From the mailing lists I understood that this will be implemented in the next version. Is it already finished and available in the cvs code? 
If so how do I find this small piece of code in the large amount of code thet comprises this program?
 
Thanks in advance,
Maarten Wolf.


MvG Maarten

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