Question: i have to calculate enthalpy entropy and free energy for gromacs trajectories using python can any one suggest me which equation i should apply for that??
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2.6 years ago by
bioquery0
bioquery0 wrote:

i have to calculate enthalpy entropy and free energy for gromacs trajectories using python can any one suggest me which equation i should apply for that?? i need it to define function for enthalpy entropy and free energy.

ADD COMMENTlink modified 2.4 years ago by gunjan.dikshit20 • written 2.6 years ago by bioquery0
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2.4 years ago by
gunjan.dikshit20 wrote:

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

ADD COMMENTlink written 2.4 years ago by gunjan.dikshit20
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