On Mon, Dec 27, 2010, leila karami wrote:
> > Are the OH distances (in the water you had a problem with) OK at this point?
>
> Yes. OH distances are OK at this point.
>
> > Now you can edit the com.mdcrd file, find the coordinates of the troublesome water, and see if there is a problem or not.
>
> com.mdcrd file only contains alot of numbers. how can I find
> coordinate of certain water molecule of com.mdcrd file and then
> compare with coordinate of same water molecule of com.xtc file?
http://ambermd.org/formats.html
...dac
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Received on Tue Dec 28 2010 - 06:30:04 PST
