Re: [AMBER] leaprc

From: Ismail, Mohd F. <farid.ou.edu>
Date: Thu, 11 Aug 2011 20:00:28 +0000

There are a few leaprc.rna. If you search in AMBERHOME/dat/leap/cmd/oldff directory, they're leaprc.rna.ffXX, where XX= 02EP, 98, 99, 02, 84, 94. So it'll be source leaprc.rna.ff99 instead.


--Farid
________________________________________
From: Charles Johnson [cjohns98.slu.edu]
Sent: Thursday, August 11, 2011 2:27 PM
To: AMBER Mailing List
Subject: Re: [AMBER] leaprc

I tried that and here is the error:

> source leaprc.rna
Could not open file leaprc.rna: not found

On Aug 11, 2011, at 1:22 PM, Ismail, Mohd F. wrote:

> After you start leap or xleap or tleap, do "source leaprc.rna"
>
> HTH
> --Farid
> ________________________________________
> From: Charles Johnson [cjohns98.slu.edu]
> Sent: Thursday, August 11, 2011 1:16 PM
> To: amber.ambermd.org
> Subject: [AMBER] leaprc
>
> I am currently working through the AMBER tutorials for NMR refinement of a DNA duplex. However, I am using RNA and came across this statement: If you were working with RNA instead of DNA, you would want to source $AMBERHOME/dat/leap/cmd/leaprc.rna instead of the default $AMBERHOME/dat/leap/cmd/leaprc (which assumes the nucleic acid residues are DNA). I am not sure how or where to implement this change. Any help would be appreciated.
>
> Thanks,
> Charlie
>
> --
> Charles A. Johnson
> Graduate Student
> Department of Chemistry
> Saint Louis University
>
>
>
>
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Received on Thu Aug 11 2011 - 13:30:03 PDT
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