AMBER Archive (2009)

Subject: Re: [AMBER] input file

From: Ashish Runthala (ashish.runthala_at_gmail.com)
Date: Thu Sep 10 2009 - 09:05:32 CDT

I guess Carlos and jenny both are correct. But i feel, as carlos sir
told, you better check in the amber manual, which of these employed
options are not feasible with the usage of any other utilized option.
I feel some of these options may not be used together. Just check it
out and then try the single line deletion iterations until you get the
result.

On 9/10/09, Jenny Iskrenova <jnova2001_at_gmail.com> wrote:
> This may be trivial but have you checked the formatting of the input file?
> The namelist line should start from the second position i.e. there should be
> a space before "&cntrl" and "/"
>
> Jenny Iskrenova
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-- 
Ashish Runthala,
Faculty Division III,
Assistant Lecturer, Biological Sciences,
Birla Institute of Technology and Science,
Pilani, Rajasthan- 333031
INDIA

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