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On 4/19/2011 6:18 PM, Sajad Ahrari wrote:
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<div>dear users<br>
in order to simulate a Kinase protein attached with two
ligands (MG and ATP in particular), i am trying to use amber03
force field with xleap in amber10 (based on some relevant
litratures). in fact i am going through a tutorial introduced
by Justin Lemkul, entitled "protein ligand complex", to learn
how to do the simulation. but i dont know how to deal with
xleap. is it some thing like "PRODGR", mentioned in the
tutorial to deal with the ligand?<br>
all the best!<br>
sajad<br>
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<br>
The LeAP family of tools belongs to the AmberTools package, not
GROMACS. Please seek help and documentation there, not here.<br>
<br>
Mark<br>
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