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Posts by gunjan.dikshit
... I have hundred MD simulation trajectories of 2 different protein. I want to make free energy landscape using MSMBuilder along with the conformations of transition states. Any help is appreciated. ...
... Hello You can calculate using gmx sham function in gromacs. Check this link if it helps. Here python script is used. http://nmr.chem.uu.nl/~adrien/course/molmod/analysis2.html ...
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