Re: AMBER: xleap loading files

From: FyD <>
Date: Sat, 15 Dec 2007 14:04:46 +0100

> Quoting Taufik Al-Sarraj:
>> I am just wondering in the tutorials i have done the files that xleap
>> can read are *.pdb, *.prmtop and *.inpcrd.
>> my question is can i load biosym, mopac, CharMm or MDL file types in xleap?

With AMBER 8-9, you can also read Tripos mol2 files within LEaP.
Moreover, with the new features implemented by C. Cezard in LEaP, you
can now write mol2 files with LEaP. See

In insightII (for instance), you can read/generate Tripos mol2 files
from the biosym file format, then load those Tripos mol2 files in LEaP
to generate LEaP OFF force field libraries and/or prmtop/prmcrd files.

You will find more information about that . &

regards, Francois

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Received on Sun Dec 16 2007 - 06:07:47 PST
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