[gmx-users] Simulation with Ligand

[Mark Abraham]

Depends whether you care about the initial configuration.

Mark
On Mar 11, 2014 9:39 AM, "Kavyashree M" <hmkvsri at gmail.com> wrote:

> Dear users,
>
> Is it absolutely essential to position restrain the
> ligand during equilibration step before going for
> production run for a protein-ligand simulation?
>
> Thank you
> Regards
> Kavya
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