[gmx-users] PMF of ligand transport

[chris.neale at utoronto.ca]

Dear Aswathy:

While not technically incorrect, it will make convergence much more  
difficult and is probably realistically incorrect given today's cpu  
power. But then again perhaps you have some particularly important  
reason to make that choice. In the absence of that, find some atom(s)  
that are as static as possible.

Chris.

-- original message --

Ok . Now I understood. I have one more doubt , as I mentioned to you, I am
using one residue in the extracellular loop as a reference point. Since this
is in the loop, do you think it can be good reference point (due to th large
fluctuatuion in the loop, will it affect the result)?