Re: [gmx-users] tip3p.itp => OWT3, HW vs. ffG53a6nb.itp => OW, H

2008-11-05 Thread Justin A. Lemkul
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.

[gmx-users] tip3p.itp => OWT3, HW vs. ffG53a6nb.itp => OW, H

2008-11-05 Thread Chih-Ying Lin
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