> 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
http://q4md-forcefieldtools.org/Tutorial/leap.php
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 .
http://q4md-forcefieldtools.org/Tutorial &
http://q4md-forcefieldtools.org/REDDB/
regards, Francois
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Received on Sun Dec 16 2007 - 06:07:47 PST
