Kishore wrote:
Dear All,
I am simulating a tetramer (Alcohol Dehydrogenase with bound NADPH) in
simple spc water in a dodecahedron box. I could easily walk through till
the NVT equilibration step after which every thing seems so right(after
5 steps with time step of 2fs using V-rescale t
Dear All,
I am simulating a tetramer (Alcohol Dehydrogenase with bound NADPH) in
simple spc water in a dodecahedron box. I could easily walk through till the
NVT equilibration step after which every thing seems so right(after 5
steps with time step of 2fs using V-rescale thermostat the system
e
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