Hi,
On Thu, Oct 4, 2012 at 2:28 AM, vaibhav dixit <vaibhavadixit.gmail.com> wrote:
> Is there any flag in the cluster command to specify this file, I can't see
> it in the AmberTools, Amber manual.
As far as I know the file name is hard-coded to PairwiseDistances. Why
not just soft-link the file to the directory you intend to run
clustering, e.g.:
cd <target directory>
ln -s <source-pairwise-distance-location> .
> Can I run all the jobs from one ptraj input file, if so how? I tried this:
Yes you should be able to. Are you sure you aren't getting any errors?
Are you able to run the commands separately?
-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
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Received on Thu Oct 04 2012 - 08:00:03 PDT
