[gmx-users] Umbrella pulling Drug + Ion channel

Andres Ortega Guerrero og_andres15 at hotmail.com
Thu Mar 27 01:58:18 CET 2014

Thank you Justin

i was wondering if you could, help with the doubt of the use of group0: i will use the entire PROTEIN but considering that the COM  is not in the middle of the ion channel's pore , and the PMF of the ligand crossing the pore, i assumed that this distances doesn't affect my calculations, because the internal n and c terminal dont interact with ligand, and in this case it is just a interpretation of the results problem? am i right

Justin thank you for your patient and time 

Andrés Ortega , 


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