Re: pairlist i_upper mismatch!

From: Peter Freddolino (petefred_at_ks.uiuc.edu)
Date: Thu Nov 20 2008 - 10:56:30 CST

I'd recommend loading the restart file into vmd (along with a psf) to
visually inspect first, and then if you don't find anything obvious, try
searching for non-unique coordinates either with a tcl script in vmd or
by writing the coordinates to a pdb file using vmd.
Peter

Diego Alejandro Vargas wrote:
> Peter,
>
> Thank you for your prompt reply. Sorry if this is an obvious question,
> but how would I go about checking the coordinates. Would I have to
> convert the restart.coor file to ASCII from binary or is there an
> easier way in VMD?
>
> Diego

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