User: gunjan.dikshit

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Posts by gunjan.dikshit

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Free energy landscape using MSMBuilder
... 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. ...
msmbuilder molecular dynamics written 22 months ago by gunjan.dikshit20 • updated 22 months ago by Biostar ♦♦ 20
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Answer: A: i have to calculate enthalpy entropy and free energy for gromacs trajectories
... 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 ...
written 23 months ago by gunjan.dikshit20

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