AW: periodicity error

From: Norman Geist (
Date: Tue Sep 18 2012 - 08:58:27 CDT

So you should fix your frcmod I guess.


Norman Geist.


Von: Shomesankar Bhunia []
Gesendet: Dienstag, 18. September 2012 10:18
An: Norman Geist
Betreff: Re: namd-l: periodicity error


Dear Norman,

    My system contain raloxifene bound in protein (PDB-1ERR). According to
the ongoing discussions i came to know that i have a problem in my *.frcmod
file as it displays "ATTN, need revision" for some angle, bond and dihedral
parameters. But i am also providing my NAMD input. Thanks in advance

On Mon, Sep 17, 2012 at 10:15 AM, Norman Geist
<> wrote:

Using amber aswell, never seen this error.


What molecules does your system contain?

Show your namd input also.


Norman Geist.


Von: [] Im Auftrag
von Shomesankar Bhunia
Gesendet: Montag, 17. September 2012 11:34
Betreff: namd-l: periodicity error


 i am using AMBER FF in NAMD and i am getting the following error.

FATAL ERROR: The periodicity of dihedral # 41 is zero!

How to resolve it?


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