Dear John,
Thank you very much for your advice.
Best regards,
Mijiddorj
Hi,
>
> Justin's tutorial is not a fully generalized procedure for umbrella
> sampling; it shows a workflow for one specific example which is not always
> applicable to other systems.
>
> In general, you don't have to use
Hi,
Justin's tutorial is not a fully generalized procedure for umbrella
sampling; it shows a workflow for one specific example which is not always
applicable to other systems.
In general, you don't have to use position restraints for anything in
umbrella sampling. Justin uses them to keep the
Dear GMX users,
I would like to ask about position restraint during the umbrella sampling.
1. Is it need to make position restraint of lipid bilayer during the
umbrella sampling simulation?
2. The position restraint was used for the B chain of amyloid-beta peptides
in prof. Justin's tutorial. Can
