VMD-L Mailing List

From: Peter Freddolino (petefred_at_ks.uiuc.edu)
Date: Fri Oct 05 2007 - 10:01:12 CDT

Hi Nicholas,
if you could send me your new solvent box, I can take a look.
Peter

Nicolas Belloy wrote:
> Hi,
> I tried to create a system with TFE-water (50%, 50%). I have an
> equilibrated box of 40A, with the corresponding pdb/psf/top files,
> segid QQQ containing both molecules but when I solvate my protein,
> I've got an error : "failed on coord"
> I don't understand what does it mean but it seems to be a problem with
> the translation of the non standard solvent box.
>
> Thanks for help or suggestion,
> Nicolas