Re: [AMBER] leaprc

From: Charles Johnson <cjohns98.slu.edu>
Date: Thu, 11 Aug 2011 15:04:02 -0500

I was able to find it and ran it successfully in tleap. Thanks.
On Aug 11, 2011, at 3:00 PM, Ismail, Mohd F. wrote:

> 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 - 13:30:04 PDT
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