On 4/19/2011 6:18 PM, Sajad Ahrari wrote:
dear users
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?
all the best!
sajad
The LeAP family of tools belongs to the AmberTools package, not GROMACS.
Please seek help and documentation there, not here.
Mark
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