AMBER Archive (2005)

Subject: Re: AMBER: ANAL problem

• Previous message: gtg549i_at_mail.gatech.edu: "AMBER: how to extract the residues of first solvation shell from the simulated system after the production?"
• In reply to: Sébastien Fiorucci: "AMBER: ANAL problem"
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On Mon, Nov 21, 2005, S?bastien Fiorucci wrote:
>
> I need to analyse an old trajectory generated with Amber6. I use mm_pbsa
> and when the script calls the anal module, it stops with the error message:
>
> DIHEDRAL ANGLE ERROR: 9686 15444 15447 15507 15510
> 32 0 0.0000 0.0000

Do you have access to a later version of Amber (7 or 8)? Those versions avoid
the use of anal.

If not, you might send me privately (<case_at_scripps.edu>) the prmtop file and
a restart file for this system. It sounds like they are too large to post
to the whole list.

...dac

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• Previous message: gtg549i_at_mail.gatech.edu: "AMBER: how to extract the residues of first solvation shell from the simulated system after the production?"
• In reply to: Sébastien Fiorucci: "AMBER: ANAL problem"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ]