kirtana,
> I tried to connect my residues in xleap with below scripts and it worked
> .But even after getting the w7.off file with all connectivity Here I have
> attcahed my library file. When I did check w7
> I am getting message on missing parameters,
This means you have to provide the missing force field parameters in a
"frcmod" file.
See for instance the leaprc.ff03 file to load an example of frcmod file.
$AMBERHOME/dat/leap/cmd/leaprc.ff03
In your LEaP script:
frcmod03 = loadamberparams frcmod.ff03
$AMBERHOME/dat/leap/parm/frcmod.ff03
> and warning on close contact of
> ... angstrom between ....and .....
These are warnings not errors. This tells you your initial structure
has some close contacts. You can proceed...
regards, Francois
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Received on Mon Jul 06 2009 - 09:02:25 PDT
