Dear Emanuel,
Here are a few comments that may help your way through the literature
already pointed out by others.
Most of your questions concern temporal/kinetic aspects (interchange
times, etc) and the answer to them is quite simple: constant-pH MD
methods are intended to produce a collec
SMA.
>>> João Henriques 07.09.11 13.09 Uhr >>>
Why don't you read the papers associated with the link everyone keeps
sending you!!!
Stop it with the autistic behavior.
http://www.gromacs.org/Documentation/How-tos/Constant_pH_Simulation
Here is the main paper regarding the CpH-MD method I'm curre
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