Hi Giulia
That is not error, it just amber telling you that there are that many
waters in the prmtop/crd file.ause
If your system is not running it is because something else.
adrian
On 8/25/16 10:12 AM, giulia palermo wrote:
> Dear all,
>
> Amber is giving the following error, when running in NVT upon optimization:
>
> default_name
> begin time read from input coords = 0.000 ps
>
> Number of triangulated 3-point waters found: 57564
>
> can you give me some insights?
> The water named 57564 has no problem.
> In the system, I have named some water molecules as WAX (because I
> want to distinguish the crystallized ones), but the Force Field is the
> same of WAT (TIP3P).
>
>
> Thank you
> Giulia
>
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--
Dr. Adrian E. Roitberg
University of Florida Research Foundation Professor.
Department of Chemistry
University of Florida
roitberg.ufl.edu
352-392-6972
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Received on Thu Aug 25 2016 - 08:30:03 PDT
