[gmx-users] spliting trajectory g_hbond -contact

[Kavyashree M]

Hi,

Ok. Sure. I will try.

Thanks all for the reply.
Regards
Kavya



On Sun, Feb 9, 2014 at 7:07 AM, Mark Abraham <mark.j.abraham at gmail.com>wrote:

> Hi,
>
> No idea, but take a small trajectory, cut it in half, and see!
>
> Mark
> On Feb 8, 2014 11:37 AM, "Kavyashree M" <hmkvsri at gmail.com> wrote:
>
> > Dear users,
> >
> > I need a small clarification . I have to get an index file for the
> > contact between protein and water with a cut of distance of
> > 0.35 nm. its a 20ns run. When i use g_hbond along with -contact
> > it runs for a while, say few ns and gets killed due to the memory
> > overload. The system I use has 16Gb RAM and i cannot increase it.
> >
> > So the question is instead of calculating the contact between the
> > two entities for the whole trajectory, if I split the trajectory into 2
> > halves and then calculate the contact, will the combined index
> > file obtained be same as the one had I used the whole trajectory?
> >
> > Thank you
> > regards
> > Kavya
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