[gmx-users] Justin umbrella sampling tutorial......

rama david ramadavidgroup at gmail.com
Thu May 24 08:19:07 CEST 2012

Thank you for your reply,

I am asking you again same question, EXTREMELY SORRY for my stupidity,

In step six , I unable to differentiate npt and production run by
mdp file as usualy we find difference by define term,

I think I get meaning upto reason why to use -DPOSRES_B,
but I want to know if we are using same mdp file in both condition
means the npt equilibriation is as same as md production ,

Then why to do npt, just run production md  with  DPOSRES_B

With my  best Wishes ,
Rama David
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