[gmx-users] Ligand topology

[Mark Abraham]

Hi,

The run will be slightly slower with the restraints. But more significant
will be the further equilibration time to start to sample the unrestrained
ensemble.

Mark

On Thu, 30 Mar 2017 12:26 RAHUL SURESH <drrahulsuresh at gmail.com> wrote:

> I am running NVT Equilibration for Protein_ligand complex as per the the
> tutorial.
>
> Will time consumption for equilibration increase in applying position
> restrains for both ligand and protein?
>
> --
> *Regards,*
> *Rahul Suresh*
> *Research Scholar*
> *Bharathiar University*
> *Coimbatore*
> --
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