On Fri, Aug 20, 2010, arikcohen wrote:
>
> 3. The last couple of lines of my inpcrd file (taken again via ptraj)are
> as follows:
>
> 63.981 67.718 26.200 35.536 66.108 14.227 35.855 65.206
> 14.246 35.298
The above cannot be a inpcrd: inpcrd and restrt files have coordinates
with 7 figures after the decimal place. What you show above is some
portion of a trajectory file.
You say "taken again via ptraj", but until/unless we know the exact commands
you are using, it's hard to know what is wrong.
....dac
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Received on Fri Aug 20 2010 - 14:00:03 PDT
