I want to calculate protein-protein binding energy using mmgbsa (molecular mechanics, the generalized Born model and solvent accessibility) for gromacs.
you can do it with amber..kindly find the attached link and go for it...
for creating input files----http://ambermd.org/tutorials/basic/tutorial4b/
for running pbsa and gbsa ---
http://ambermd.org/tutorials/advanced/tutorial3/py_script/section6.htm
I know using amber, I can do this but i am gromacs user. so i can not go with amber. i need software which allow gromacs
Follow this link may it useful for you
http://ambermd.org/Questions/amber-archive.mbox
I want to do some magnetic property calculation. For this reason I want to get some idea about this software from some user.
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