Dear Amber users,
I have a problem.
I have to do Molecular dynamics of a protein (whose NMR structure is
recorded at pH=4.5 and T=32 C.)
Whether I can use directly that as the initial structure to run simulation
or I have to maintain pH constant that is (pH=4.5) and run the simulation.
Thanks in advance,
Siddharth Rastogi
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Received on Wed Aug 06 2008 - 06:07:31 PDT
