On Wed, Mar 19, 2014 at 7:28 PM, Sourav Purohit <sour000.gmail.com> wrote:
> The simulation ran. But I wanted to know if the results have any chance of
> being wrong.
>
Results can always be wrong, but it won't be because of a missing comma in
the sander input file (a missing comma that is syntactically required will
cause an immediate crash, not silent, subtle, systematic errors).
Of course you can run a short simulation with the comma and see if the
results are similar with the beginning of the one that ran.
HTH,
Jason
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Wed Mar 19 2014 - 19:00:02 PDT
