ptraj binary is not installed with AMBER v18/AmberTools18 as cpptraj is its successor.
To the best of my knowledge, all commands executed by ptraj are also executed by cpptraj. Scripts are also compatible (see cpptraj documentation for details).
Pratul K. Agarwal, Ph.D.
(Editorial Board Member: PLoS ONE, Microbial Cell Factories)
Web: http://www.agarwal-lab.org/
On 12/9/2018 9:37 PM, Pavithra Support wrote:
Hello all,
I have installed Amber18,AmberTools18 in GeForce GTX 1080 (single GPU) with
CUDA9 (CENTOS 7).
I have tested amber with CPU and GPU benchmarks. Everything worked fine.
But when I'm trying to analyse my results, I wanted to use ptraj but I got
the below error.
bash: ptraj: command not found...
CPPPTRAJ works fine. What could be the problem?
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Received on Sun Dec 09 2018 - 19:00:02 PST
