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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Received on Thu Aug 25 2016 - 08:30:02 PDT
