Re: [ESPResSo] pbc wrap & folded/unfolded coordinates

[Olaf Lenz]

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Hi!

On 06/02/2010 12:46 AM, Salvador Herrera Velarde wrote:
> First of all, I would like to mention that I using linux (Centos) and
> when I launch vmd-1.8.7, inmediatly I receive the following message:
> Error updating the cell information
> missing operand at address@hidden
> in expression "address@hidden"

This is very strange and should not happen. It happens already when you
start VMD without loading any file or anything?
If that is the case, I would guess that you either have some strange
settings in ~/.vmdrc, or your VMD installation is broken. So first chekc
.vmdrc, and then try uninstalling and reinstalling VMD.

> Regarding my problem, I have a series of pdb files generated with
> ESPResSo (using mbtools). The command that I used was:
> writepdbfoldtopo "$outputdir/$ident.vmd[format %04d $j].pdb"

This is about the mbtools, and so Tristan is the better person for an
answer, as I have no clue about these tools.

Olaf

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