Hi Junjun,
Thank you. Do you know the way of converting binary trajectory to ascii text format? I searched it and could not find a solution.
Wu
----- Original Message -----
From: "liu junjun" <ljjlp03.gmail.com>
To: "AMBER Mailing List" <amber.ambermd.org>
Sent: Saturday, March 3, 2018 10:17:21 AM
Subject: Re: [AMBER] mm_pbsa.pl error
you probably used a binary trajectory. Converting it to ascii text format
should work with mmpbsa.pl. Why don't use the python version? It's much
more convenient.
Junjun
On Sun, Mar 4, 2018 at 12:08 AM, Wu Xu <wxx6941.louisiana.edu> wrote:
> Dear AMBER users
>
> I am calculating binding energy using mm_pbsa.pl following the tutorial
> "Perl Script mm_pbsa.pl http://ambermd.org/tutorials/
> advanced/tutorial3/section3.htm".
> It gave me errors: "input conversion error" and "Close TO failed:
> -1/Broken pipe"
>
> ----
> forrtl: severe (64): input conversion error, unit 5, file /proc/82762/fd/0
> Image PC Routine Line Source
> libifcore.so.5 00002ABEDCC36C20 Unknown Unknown Unknown
> make_crd_hg 000000000040554F Unknown Unknown Unknown
> make_crd_hg 0000000000400E16 Unknown Unknown Unknown
> libc.so.6 000000351541ED1D Unknown Unknown Unknown
> make_crd_hg 0000000000400D09 Unknown Unknown Unknown
> Close TO failed: -1/Broken pipe
> ----
>
> I checked MM-PB(GB)/SA error messages:
> [Closing pipe to "make_crd_hg" program failed. The provided trajectory
> might be in a format that cannot be processed by "make_crd_hg".]
>
> If I use .mdcrd file generated by Amber 12, mm_pbsa.pl works. I do not
> know why .mdcrd generated by Amber 16, mm_pbsa.pl did not work while
> mm_pbsa.py works.
>
> Can someone help me to solve this problem?
>
> Thanks,
>
>
> Wu Xu
> Department of Chemistry
> University of Louisiana at Lafayette
>
>
>
>
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>
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Received on Sat Mar 03 2018 - 10:30:02 PST
