Hi,
May be its solved but just wondering this,
> RESIDUE name: PC
>You originally used c.24.N24
shouldn't it be this:
bond PC.1.N24 PC.1.H25 instead of >> bond c.1.N24 c.1.H25
(but one should be careful if it increases bond valency allowed)
regards,
________________________________
From: case <case.biomaps.rutgers.edu>
To: AMBER Mailing List <amber.ambermd.org>
Sent: Tuesday, June 26, 2012 3:42 AM
Subject: Re: [AMBER] force field library for protonated cytosine
On Tue, Jun 26, 2012, Asmita Gupta wrote:
> I used that command too...here is the output of "desc"
>
> RESIDUE name: PC
> RESIDUE sequence number: 1
You originally used c.24.N24, which purports to refer to an atom named "N24"
in residue 24. You probably want c.1.N24, looking for atom N24 in residue
*1*.
...dac
> > On Mon, Jun 25, 2012, Asmita Gupta wrote:
> > >
> > > bond c.24.N24 c.25.H25
> > > bond: Argument #1 is type String must be of type: [atom]
> >
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Received on Thu Jun 28 2012 - 09:30:03 PDT
