Hi,
Yes, sorry for the confusion.
I realized that due to fluctuations in power at my end ptraj will not be
able to finish more than three cluster commands in one go.
Thus I decided its better to run each separately. *It would have been
helpful if ptraj had written output for successive commands without waiting
for other commands to finish*.
Anyways thanks for your time and suggestions.
On Fri, Oct 5, 2012 at 11:17 PM, Daniel Roe <daniel.r.roe.gmail.com> wrote:
> Hi,
>
> I'm able to run two cluster commands at the same time.
>
> On Thu, Oct 4, 2012 at 11:10 PM, vaibhav dixit <vaibhavadixit.gmail.com>
> wrote:
> > Clustering using the average linkage algorithm.
> > ^C
> > ---------------
>
> Are you killing the calculation? Is ptraj ever able to finish
> properly? If ptraj does not complete the output won't be there since
> for clustering, trajectory output etc takes place right before ptraj
> finishes (after all actions are complete).
>
> -Dan
>
> --
> -------------------------
> Daniel R. Roe, PhD
> Department of Medicinal Chemistry
> University of Utah
> 30 South 2000 East, Room 201
> Salt Lake City, UT 84112-5820
> http://home.chpc.utah.edu/~cheatham/
> (801) 587-9652
> (801) 585-9119 (Fax)
>
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--
With regards
Vaibhav A. Dixit
Ph.D. Scholar
Department of Medicinal Chemistry
Natl. Inst. Pharm. Edu. & Res. (NIPER)
Sector 67, Phase X, S.A.S. Nagar (Mohali)
Punjab -160 062 INDIA
Phone (Mobile): +919915214408
E-mail: vaibhavadixit.gmail.com
www.niper.nic.in
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Received on Fri Oct 05 2012 - 19:00:03 PDT
