Re: [AMBER] conversion of gromacs trajectory file (xtc) to amber trajectory file (mdcrd) / problem in water molecules

From: case <>
Date: Tue, 28 Dec 2010 08:59:42 -0500

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?


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Received on Tue Dec 28 2010 - 06:30:04 PST
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