Hello,
> 1) is there any option to get charges on the atoms as the structure so seen donot have
> any charges... i.e. the pdb formatt. can the prmtop file be used to generate the charges
You might want pqr instead of pdb?
ambpdb -pqr -p prmtop < rst > whatever.pqr
You will have charges and it really looks like a pdb file...
}><(({*>
__/
Jordan MONNET
Bachelor in Biology & Computer science
University of Paris Diderot (Paris VII)
Phone: +336 20 70 24 93
http://monnet.jordan.free.fr/
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Received on Wed Aug 19 2009 - 19:51:01 PDT
