Hi all,
I'm experiencing a problem with my trajectory waters. Really early on in the
simulation the waters begin expanding out of the box. There are no system
errors that I am aware of and the simulation runs fine.
Is this something that can be fixed with trjconv? Or is it something more
Hi,
I was wondering if you would be able to advise me of the best method to compare
a mutated and WT structure. I was hoping to perform RMSD analysis for certain
regions within a mutation against the same region within the wild type
structure. Unfortunately, the atom numbering is likely to
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> On 7 Sep 2015, at 09:32, Natalie Stephenson
> <natalie.stephen...@manchester.ac.uk> wrote:
>
>
>
> Hi,
>
> I was wondering if you would be able to advise me of the best met
:41 AM, Natalie Stephenson wrote:
Hi all,
This probably seems a really obvious question, but I'm struggling to get my
head around it. I am performing simulations to determine the effect of
mutations on key regions of the protein. I have a crystal structure which I
am using as the WT construct
Hi all,
This probably seems a really obvious question, but I'm struggling to get my
head around it.
I am performing simulations to determine the effect of mutations on key regions
of the protein. I have a crystal structure which I am using as the WT
construct, and have performed homology
Hi all,
This probably seems a really obvious question, but I'm struggling to get my
head around it.
I am performing simulations to determine the effect of mutations on key regions
of the protein. I have a crystal structure which I am using as the WT
construct, and have performed homology
