[gmx-users] polarizable simulation

[Justin Lemkul]

On 10/26/17 11:31 PM, limingru wrote:
> Hello Justin,		Thanks for your answer. So can ethanol molecule be supported by 2013-Drude force field in GMX, if any, how to get its itp file? Thanks a lot.

Contact me off-list. Our model compounds are not part of the public 
release of the force field yet.

Then just generate the topology with pdb2gmx.

-Justin

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Justin A. Lemkul, Ph.D.
Assistant Professor
Virginia Tech Department of Biochemistry

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