Thank you sir.
On Fri, Sep 27, 2013 at 11:47 AM, Tsjerk Wassenaar wrote:
> Yes.
>
> Cheers,
>
> Tsjerk
>
>
> On Fri, Sep 27, 2013 at 7:51 AM, Venkat Reddy wrote:
>
> > Thanks for the quick reply sir.
> > So, does it mean I can apply "trjcat" on the processed xtc files???
> >
> >
> > On Thu, Sep
Yes.
Cheers,
Tsjerk
On Fri, Sep 27, 2013 at 7:51 AM, Venkat Reddy wrote:
> Thanks for the quick reply sir.
> So, does it mean I can apply "trjcat" on the processed xtc files???
>
>
> On Thu, Sep 26, 2013 at 10:25 PM, Tsjerk Wassenaar >wrote:
>
> > Hi Venkat,
> >
> > These options are 'frame
Thanks for the quick reply sir.
So, does it mean I can apply "trjcat" on the processed xtc files???
On Thu, Sep 26, 2013 at 10:25 PM, Tsjerk Wassenaar wrote:
> Hi Venkat,
>
> These options are 'frame intrinsic' or 'history independent', unlike -pbc
> nojump.
>
> Cheers,
>
> Tsjerk
>
> On Sep 26,
Hi Venkat,
These options are 'frame intrinsic' or 'history independent', unlike -pbc
nojump.
Cheers,
Tsjerk
On Sep 26, 2013 6:46 PM, "Venkat Reddy" wrote:
Dear Tsjerk sir,
I used trjconv -pbc mol -ur compact options.
On Thu, Sep 26, 2013 at 9:17 PM, Tsjerk Wassenaar
wrote: > Hi Venkat, > >
Dear Tsjerk sir,
I used trjconv -pbc mol -ur compact options.
On Thu, Sep 26, 2013 at 9:17 PM, Tsjerk Wassenaar wrote:
> Hi Venkat,
>
> It depends on what you mean with "removing pbc".
>
> Cheers,
>
> Tsjerk
>
> On Sep 26, 2013 5:21 PM, "Venkat Reddy" wrote:
>
> Dear Sir,
> Thanks for the qui
Hi Venkat,
It depends on what you mean with "removing pbc".
Cheers,
Tsjerk
On Sep 26, 2013 5:21 PM, "Venkat Reddy" wrote:
Dear Sir,
Thanks for the quick reply.
I accidentally lost one of my raw .xtc files. But I have the noPBC xtc
file. So, when ever I extend my simulation, first I am removin
Dear Sir,
Thanks for the quick reply.
I accidentally lost one of my raw .xtc files. But I have the noPBC xtc
file. So, when ever I extend my simulation, first I am removing PBC then
concatenating it with existing noPBC xtc file. Is it fine??
On Thu, Sep 26, 2013 at 7:13 PM, Dr. Vitaly Chaban wrot
I do not think that I ever tried myself, but is seems all the same.
Why do you ask?
Dr. Vitaly V. Chaban
On Thu, Sep 26, 2013 at 3:40 PM, Venkat Reddy wrote:
> Dear all,
> I have a basic doubt. Is there any difference between the two processes
> where
> 1) I concatenate the trajectories and do
Dear all,
I have a basic doubt. Is there any difference between the two processes
where
1) I concatenate the trajectories and do trjconv to remove PBC, which is a
default process
2) Do trjconv on all the xtc files separately and then concatenate them.
Thank you for your time
--
With Best Wishes
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