Re: FATAL ERROR: Duplicate bond

From: JC Gumbart (gumbart_at_ks.uiuc.edu)
Date: Wed Mar 11 2009 - 17:17:36 CDT

You should probably first try to figure out why the extra bond was
added to begin with - what did you use to build the files? Modifying
the psf file directly is an option, but is likely to cause more
problems than it solves.

On Mar 11, 2009, at 2:45 AM, 璀 李 wrote:

> Hi, everyone
> When I run my program. the error came out that duplicate bond was
> found between 2 atoms.
> Reason: FATAL ERROR: Duplicate bond from atom 13429 to atom 13437
>
> Charm++ fatal error:
> FATAL ERROR: Duplicate bond from atom 13429 to atom 13437
>
> Should I delete the bond directely? How to do it since my psf file
> was huge?
>
> Thanks
>
>
> Tracy Lee
> LMMD
> ECUST
>
>
> 好玩贺卡等你发,邮箱贺卡全新上线!

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