Dear Amber users,
I am trying to perform MD for carbohydrates with AMBER 7.0
I want to combine and make polysacchrides with Woods each carbohydrate prep
fragment. (from Glycam web)
I tried "combine" and "bond" command in XLEaP but I can't open combined prep
and structure is not correct.
Second thing,
When I build new molecule and save it using "saveamberprep" in XLEaP, prep
file format is different from Woods prep format. It uses cartesian
coordinates and no bond information.
Are there 2 kinds of prep file formats, cartesian coord. and z-matrix
format?
or Is there any way to convert cartesian coord. to z-matrix format?
I'd appreciate any help.
Thanks.
Mikyung
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Received on Tue Jul 29 2003 - 22:53:01 PDT
