Thank you so much Dr.Case
It is working.
________________________________
From: David Case <david.case.rutgers.edu>
Sent: Friday, April 14, 2017 7:41:09 AM
To: AMBER Mailing List
Subject: Re: [AMBER] Format error in frcmod file of HEME
On Fri, Apr 14, 2017, Thakur, Abhishek wrote:
>
> I am trying to use HEME amber parameters but it is giving me format error
To expand on the previous email:
Amber expects a title at the top of a frcmod file; adding a blank line
will be fine.
However, you have lots of weird characters in your file:
> Unknown keyword: NB-FE-NO? in parameter file. Perhaps a format error?
> Unknown keyword: NB-FE-LC ? in parameter file. Perhaps a format error?
The "?" are glyphs that are unknown to Amber; plus you have dos line-endings.
I'm guessing that somehow you processed this file through some program that
made substitutions that changed the content. Try to get a fresh copy, and
examine it with a genuine text editor to make sure it looks OK.
...good luck....dac
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Received on Fri Apr 14 2017 - 12:00:03 PDT
