[gmx-users] about PMF calculation

[chiloo Laohpongspaisan]

Dear all,

 

I'd like to ask about the calculation of potential of mean force.

Is it possible to calculate PMF from trajectory? Or do we need to apply "pull code" or "free energy code" before MD running?

 

Regards,

Chiloo

 Other Mails:
chiloo7 at hotmail.com
chiloo777 at gmail.com
lchitt at kku.ac.th 


      
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