AMBER Archive (2007)

Subject: Re: AMBER: nmode ntrun=2

From: JM Beames (joe.beames_at_bristol.ac.uk)
Date: Thu Dec 13 2007 - 09:29:54 CST

Hi everyone,

in response to my problem with ntrun=2 I have posted the associated files
giving me an error. I have played about considerably with the nmdin file
but still can't get anywhere. I'm trying to run this on AMBER9.

Thanks in advance

Joe Beames

--On 06 December 2007 09:06 -0800 "David A. Case" <case_at_scripps.edu> wrote:

> On Thu, Dec 06, 2007, JM Beames wrote:
>>
>> I'd really like some help on this so I will post whatever is useful to
>> understanding the problem. The molecule I'm working on is
>> tetraphenylporphyrin and I have all the associated files. I don't want
>> to over-post, so if you could tell me what is needed I can post the
>> necessary files.
>
> Just post the files the could be used to reproduce the error: prmtop,
> coordinates, nmode input file. Also, let us know what version of Amber
> you are using.
>
> ...dac
>
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----------------------
JM Beames
joe.beames_at_bristol.ac.uk
Laser Group
Department of Chemistry
University of Bristol


  • application/octet-stream attachment: tpp.nmdin

  • application/octet-stream attachment: tpp.rst

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