Re: [AMBER] adding counterions

From: Ping <xiuchen.iastate.edu>
Date: Thu, 1 Jul 2010 13:37:47 -0500

Hi Bill,

[xiuchen.sw2123-06 leap]$ loadpdb
/home/xiuchen/Desktop/protonatedsingleprotein.pdb
loadpdb: Command not found.
[xiuchen.sw2123-06 leap]$

do you know what is the problem?

Thanks!

On Thu, Jul 1, 2010 at 1:19 PM, Bill Ross <ross.cgl.ucsf.edu> wrote:

> > Hi Bill, do I need to add the pdb file name of the protein with 19 H+ in
> > the command "addions my_mol Cl- 0"?
>
> leap> my_mol = loadpdb my_mol.pdb
> leap> addions my_mol Cl- 0
>
> 'my_mol' can be whatever string works for you.
>
> Bill
>
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Received on Thu Jul 01 2010 - 12:00:03 PDT
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