VMD-L Mailing List

From: Dawid das (addiw7_at_googlemail.com)
Date: Fri Nov 25 2016 - 01:52:10 CST

2016-11-24 19:18 GMT+01:00 John Stone <johns_at_ks.uiuc.edu>:

> It is possible that the issue you're encountering is caused by
> mismatched coordinate units or something similar. Are your XYZ
> file coordinates in Angstroms or nanometers? I would have expected
> solvate to correctly delete waters close to your structure if it was
> used properly and all of the units are consistent.
>

My XYZ file is in Angstroms and I provide the minimum and maximum X, Y, Z
values also in Angstroms.
Is that OK?

Best regards,
Dawid Grabarek