[gmx-users] Thermodynamic integration of VDW transformation

deepak bapat dubapat at gmail.com
Thu Mar 22 04:28:31 CET 2018

Dear Gromacs users

I had posted a similar question recently, but I did not get any reply so I
think I did not put it correctly.

It is regarding thermodynamic integration of mutating (not decoupling ) VDW
parameters from state A to state B. Will different state B parameters have
different <dhbydl> values at lambda=0 for same state A parameters?



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