alright Mark,
Thanks a lot
On Tue, Dec 20, 2016 at 3:00 AM, Mark Abraham
wrote:
> Hi,
>
> On Tue, Dec 20, 2016 at 9:20 PM Amir Zeb wrote:
>
> > Thanks Mark for your quick response,
> >
> > I did as you mentioned, what i got was actually the total charge of the
> > each residue remained consta
Hi,
On Tue, Dec 20, 2016 at 9:20 PM Amir Zeb wrote:
> Thanks Mark for your quick response,
>
> I did as you mentioned, what i got was actually the total charge of the
> each residue remained constant at the end.
>
Your topology isn't changing over the simulation, so you shouldn't expect
it to c
Thanks Mark for your quick response,
I did as you mentioned, what i got was actually the total charge of the
each residue remained constant at the end.
What i'm interested in, is that i have to analyze my results and it seems
that there is loss of electrostatic interaction for a mutated residue bu
Hi,
You open your topology file in a text editor and see what it is :-)
Mark
On Tue, Dec 20, 2016 at 9:12 PM Amir Zeb wrote:
> Hello All,
>
> I want to know the total charge carried by a specific residue during or
> after simulation. Please let me know how may I do it? I don't know the
> exact
Hello All,
I want to know the total charge carried by a specific residue during or
after simulation. Please let me know how may I do it? I don't know the
exact command line
Thanks
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