[gmx-users] Turn on/off residues in gromacs

[Quyen Vu Van]

Dear Mark,
I mean that e.g my protein has 10 residues in pdb file but at t=0, Gromacs
will only calculate the interactions of all atoms in residue 1
t= 1ns (for example) Gromacs will calculate the interactions of all atoms
in residues 1 and 2, and so on till t= XXX ns, interactions of all atoms of
full protein is take into account.
Best regards,
Quyen


On Fri, Oct 19, 2018, 18:42 Mark Abraham <mark.j.abraham at gmail.com> wrote:

> Hi,
>
> What do you mean by turning a residue off? What would terminate the
> chemical bond to the residue that it was bound to?
>
> Mark
>
> On Fri, Oct 19, 2018, 14:40 Quyen Vu Van <vuqv.phys at gmail.com> wrote:
>
> > Dear Gromacs community,
> > How can I turn off/on residues in the protein, I want to mimic the
> process
> > of protein synthesis.
> > Thank you and best regards,
> > Quyen
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