Dear Prof Luo,
Thank you for your reply.
Prof Luo for your information I am sending you my inpcrd and prmtop files, please have a look for the errors, i am sending these files to the
email: ray.luo.uci.edu.
If I need to send anything else that I missed please let me know.
I checked installation on my PC, I had recently reinstalled AMBERTOOL14 and AMBER14, and tried tutorials, they are working fine and I had successfully finished the tutorials on this version, than I had converted my original psf, pdb, topology,parameter files using CHAMBER to prmtop and inpcrd and i am using dcd file obtained from NAMD file format to perform MMPBSA calculations.
with best regards
Abhi
Date: Wed, 17 Dec 2014 09:53:58 -0800
From: "Ray Luo, Ph.D." <ray.luo.uci.edu>
Subject: Re: [AMBER] MMPBSA-ERROR for firstmolecule-dna
To: AMBER Mailing List <amber.ambermd.org>
Message-ID:
<CALRp-wpet6SZskdikck37rVv616n09vQ90ti_37s+5RXoygHUA.mail.gmail.com>
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Adhi,
The attached output file is very useful for spotting the problem ...
It appears that you are using the sander version for the job, and the
top file is from charmm. However, no atomic charges were read in. Are
you sure your topology files and inpcrd files are correctly generated?
Please take a look in VMD first.
If you find no problem in visualizing the files. Please email me a set
of files to take a look.
Of course, I suppose you have no problem passing all the tests after
patching all the updates and installing.
All the best,
Ray
--
Ray Luo, Ph.D.
Professor,
Biochemistry, Molecular Biophysics, Chemical Physics,
Chemical and Biomedical Engineering
University of California, Irvine, CA 92697-3900
On Tue, Dec 16, 2014 at 8:44 PM, Jason Swails <jason.swails.gmail.com> wrote:
> This error message is new to me and I don't understand why you got it. One
> of the PBSA developers will have to chime in here.
>
> On Tue, Dec 16, 2014 at 10:56 PM, Abhishek TYAGI <atyagiaa.connect.ust.hk>
> wrote:
>>
>> Hello experts,
>>
>> I am still waiting for the reply for my problem, if some one have any clue
>> please tell me, I am stuck to this error. I am new to AMBER I am
>> understanding how to solve the error.
>>
>> Thanks in advance
>>
>> Abhi
>>
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Received on Fri Dec 19 2014 - 01:30:03 PST
