[gmx-users] Question about distance restraints

[Justin Lemkul]

On 8/31/19 5:27 PM, Tanos Franca wrote:
>     Dear users,
>
>     I´m trying to run a MD simulation using different distance 
> restraints for several pairs of atoms (example: 0.1 nm - 0.2 nm; 0.2 
> nm - 0.3 nm, ...) but it´s not working. GROMACS is only accepting one 
> range of restraint (example: 0.1 nm - 0.2 nm for all pairs) per 
> simulation. If I try including different ranges I got fatal error 
> mesage. Does someone knows how to run the different range of distances 
> in the same MD simulation?
>

You will need to share all relevant topology snippets, commands, and 
exact error messages.

-Justin

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Justin A. Lemkul, Ph.D.
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