[gmx-users] defining parameters in a separate itp file

[Justin Lemkul]

On 11/10/19 4:53 AM, Dave M wrote:
> Hi Justin,
>
> I just found that using bond type 6 (instead of 1) works for my test
> models. So something like this in top file works fine which is bit neat and
> easier to handle for multiple molecules (compared to pull code).
>
> [intermolecular_interactions]
>
>   [ bonds ]
>
>      1     158     6  0.4  1000
>
> Just thought to reply what worked for me for future users.

Excellent; thanks for reporting back!

-Justin

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Justin A. Lemkul, Ph.D.
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