VMD-L Mailing List

From: Justin Gullingsrud (justin_at_ks.uiuc.edu)
Date: Thu Sep 19 2002 - 10:37:08 CDT

Hi,

Would you mind downloading and trying out one of the new 1.8 alpha versions
of VMD? There have been significant changes to the file loading code since
1.7.1 which might have cured your problem.

http://www.ks.uiuc.edu/Research/vmd/

Justin

On Thu, Sep 19, 2002 at 05:04:42PM +0200, Tobias Mandrup Johansen wrote:
> Hi,
>
> we have been having a problem that one of you might be able to explain.
>
> When running vmd-1.7.1 on HPUX 11 i get this error
>
> vmd > mol load psf LE-H2O.psf
> Info) REMARKS original generated structure x-plor psf file
> Info) Atom:1 SN: ENK ID: 1 RN: TYR NM: N TP: NT Q=-0.300
> M=+14.007
> Info) Atom:2 SN: ENK ID: 1 RN: TYR NM: HT1 TP: HC Q=+0.350
> M=+1.008
> Info) Atom:3 SN: ENK ID: 1 RN: TYR NM: HT2 TP: HC Q=+0.350
> M=+1.008
> Info) Atom:4 SN: ENK ID: 1 RN: TYR NM: HT3 TP: HC Q=+0.350
> M=+1.008
> Info) Loading new molecule ...
> Info) Analyzing structure ...
> Info) Atoms: 12848
> Info) Residues: 4262
> Info) Waters: 4257
>
> Warning) Unusual bond between residues 4 and 5
> Info) Segments: 2
> Info) Fragments: 4258 Protein: 1 Nucleic: 0
> vmd > animate read dcd LE_md_3.dcd
> Info) Opened coordinate file LE_md_3.dcd for reading.
> Info) DCD file type: CHARMm
> vmd > IOT trap (core dumped)
>
> is there anyone that knows how to fix this?
>
> thanks!
> Tobias
>
>
> 

-- 
  Justin Gullingsrud        3111 Beckman Institute        217-244-8946
  I been dropping the new science, and I be kicking the new knowledge,
  and I'm seeing to a degree that you can't get in college.  -- b.boys