[gmx-users] Abot Free energy methods in gromacs

vidhya sankar scvsankar_agr at yahoo.com
Fri Dec 20 17:11:13 CET 2013

Dear Justin ,
                      Thank you for your Previous reply.
I am Doing Simulation of assembly of  Cyclic Petide in POPC membrane
For that I need to calculate Free energy for Stability of Assembly.
You suggested the Umbrella sampling 

But Aprt from that i wish to do
Free energy perturbation method or MM-PBSA method 
Is the Afore said method is suitable or Not . to study of assembly of Cyclic Peptide in POPC membrane 

If it is suitable then Is ther is any tutorial for those methods in Gromacs? With Installation of MM-PBSa interface  with Gromacs 

Thanks in Advance

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