[AMBER] reproducing a simulation

From: Xiao Chen <chen.xiao.po.gmail.com>
Date: Fri, 22 Jul 2011 17:04:35 +0530

Dear All,

I ran a molecular dynamics simulation of the exact same ligand-protein
complex, using the exact same parameters and input files ,twice. After
generating 20 frames (each) ,I calculated the rmsd (using ptraj) for each
and got the attached numbers.
Can we say that the two simulations are identical, and that it has been
reproduced, based on these attached numbers?

Thanks,

Po


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Received on Fri Jul 22 2011 - 05:00:02 PDT
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