AMBER Archive (2009)

Subject: Re: [AMBER] ambpdb problem

From: Jordan Monnet (monnet.jordan_at_free.fr)
Date: Thu Jul 30 2009 - 14:32:57 CDT

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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