Dear Amber users,
I'm running MD simulations with different water models (OPC, SPC/E, TIP3P,
and TIP4PEW). Despite the water model used, in .out files I'm always
getting the following information: "Number of triangulated 3-point waters
found: " and the number of water molecules.
I'm curious why in the case of OPC and TIP4PEW the number is not 0 and why
the additional information about 4-point waters found is not displayed.
Is this information "Number of triangulated 3-point waters found:
"displayed by default no matter which water model is used?
Thank you in advance for clarifying things.
Best regards
Maria
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Mar 26 2024 - 07:00:02 PDT
