Re: [gmx-users] Reference point of position restraint

[Mark Abraham]

Hi,

Yes, the tpr position, but see grompp -h about the -r option.

Mark

On Thu, Jun 8, 2017 at 11:45 AM Simon Kit Sang Chu 
wrote:

> Hi,
>
> Just a short question. When I check GROMACS manual, it is stated that
> position restraint is applying a strong harmonic potential to the atom in
> reference to a reference point. However, should I assume the reference
> point is the position of the atom in the first frame?
>
> Thanks,
> Simon
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[gmx-users] Reference point of position restraint

[Simon Kit Sang Chu]

Hi,

Just a short question. When I check GROMACS manual, it is stated that
position restraint is applying a strong harmonic potential to the atom in
reference to a reference point. However, should I assume the reference
point is the position of the atom in the first frame?

Thanks,
Simon
-- 
Gromacs Users mailing list

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