Dear Dr. Cheatham,
Thanks you very much for your great help - a test on version 8 works
correctly! AMBER7/ptraj did not.
Thanks again,
Wen
On Fri, 1 Apr 2005, Thomas E. Cheatham, III wrote:
>
> > It would be a great help if the code can be adjusted to this type of need.
>
> The AMBER8.0 version of ptraj appears to have this done correctly (based
> on my reading of the code); which version of ptraj are you using?
>
>
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Received on Sat Apr 02 2005 - 03:53:00 PST
