ysis to the log file above
> this error message that should provide context.
>
> More generally, you can use gmx check to compare the .tpr files and observe
> that the differences between them are only what you expect.
>
> Mark
>
> On Wed, 24 Apr 2019 at 15:28, Per Larsson
Hi gmx-users,
I am trying to start a replica exchange simulation of a model peptide in water,
but can’t get it to run properly.
I have limited experience with REMD, so I thought I’d ask here for all the
rookie mistakes it is possible to do.
I have also seen the earlier discussions about the
Hi,
Thanks Justin, but shouldn't the PMF be (more or less) symmetric anyway,
given the inherent bilayer symmetry?
In this case I have designed the two leaflets in the bilayer to have
non-identical lipid composition, so then I think using -sym would
obliterate any differences between the leaflets,
