Calculating Protein-lingand interation using MM/GBSA and MM/PBSA
You can have a look at the following link:
http://rashmikumari.github.io/g_mmpbsa/
Software uses trajectory created from gromacs.
This reference may also help:
http://pubs.acs.org/doi/abs/10.1021/ci500020m
Dear Hiqmet,
Thank you..
The MM/PBSA and MM/GBSA methods to estimate ligand-binding affinities
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4487606/
http://www.sciencedirect.com/science/article/pii/S0010465514003154
Dear Anu,
Thank you.
I would recommend you to first try with files (.mdp) in tutorial. This will minimize errors
Dear Kumar, can you attach the .mdp file or link the tutorial so that I can access...
Dear Shadrack
Find it here http://rashmikumari.github.io/g_mmpbsa/Tutorial.html
All the best
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