[gmx-users] How to make a gro water model from a a99SB-disp force field?

[Justin Lemkul]

On 1/11/19 8:12 AM, ZHANG Cheng wrote:
> I got the a99SBdisp force field with a tip4pd.itp water model. How can I convert it to a tip4pd.gro file?
>
>
> I need this water gro file for "gmx solvate".

You can use the normal tip4p.gro that is provided already. After 
minimization/equilibration, the coordinates will have reoriented 
themselves according to the new topology.

-Justin

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Justin A. Lemkul, Ph.D.
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