[gmx-users] About free enrgy calculation

2014-06-01 Thread vidhya sankar
Thank you for your previous reply Sorry  In previous Mail i wrongly  stated that decoupling CNT ( as you stated  it is big  Molecule ) To do free energy calculation based on on your tutorial 6( methane/water)   I  want to decouple  Water  from CNT which is Wrapped by  assembly of Cyclic

Re: [gmx-users] About free enrgy calculation

2014-06-01 Thread Justin Lemkul
On 6/1/14, 3:30 AM, vidhya sankar wrote: Thank you for your previous reply Sorry In previous Mail i wrongly stated that decoupling CNT ( as you stated it is big Molecule ) To do free energy calculation based on on your tutorial 6( methane/water) I want to decouple Water from CNT