Chih-Ying Lin wrote:
Hi
Here are part of tip3p.itp and ffG53a6nb.itp.
tip3p.itp => OWT3, HW
ffG53a6nb.itp => OW, H
To make the simulation run, I attempt to replace OWT3 and HW with OW
and H in my tip3p.itp file. Does it make sense ?
No. What you are doing is cannabilizing the parameters.
Hi
Here are part of tip3p.itp and ffG53a6nb.itp.
tip3p.itp => OWT3, HW
ffG53a6nb.itp => OW, H
To make the simulation run, I attempt to replace OWT3 and HW with OW
and H in my tip3p.itp file. Does it make sense ?
In tip3p.itp, OWT3, HW are not defined in a specific / limited force field ??
Than
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