Quoting SHARAD gupta <sharadguptaacbr.yahoo.co.in>:
> I am preparing modified Nucleic Acid to Simulate it
> under AMBER environment. For this I have prepared respective
> modified monomers on Amber and assigned RESP charges using Gaussian
> programme. I saved the respective library files for these monomers
> with assigned terminals( Head and Tail).
> But when I am Trying to call my complete modified nucleic acid
> molecule, the Xleap is unable to identified it...
What is the error message ?
> I am unable to trace out the problem.
> Can anyone suggest me, It would be a great help.
See the F-60 project in R.E.DD.B. where you will find a LEaP script as
an example to set the head/tail of new fragments.
http://q4md-forcefieldtools.org/REDDB/up/F-70/script1.ff
regards, Francois
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Received on Sun Mar 25 2007 - 06:07:09 PDT
