Re: [AMBER] use orca in amber

From: wangjianing_mail <>
Date: Tue, 2 Mar 2021 18:31:31 +0800 (GMT+08:00)

export PATH before export /usr/bin

Wang JiaNing (王家宁), Master of Science
Student of Professor Ye Mei
East China Normal University
3663 Zhongshan Bei North Rd., Putuo, Shanghai, China
Tel.: +8617521724503
On 3/2/2021 17:37,wangjianing_mail<> wrote:
Dear Amber user:

Here is a error when i want to orca in amber QM/MM, it will open a orca Screen Reader and print SANDER BOMB in amber out file.
This may mean that amber called another Orca software incorrectly?

It's available to "orca orc_job.inp > out", where orc_job.inp is generated from the operation of sander.

I don't know how to solve this problem for there is anothor orca screen reader in / usr / bin without root

alisa orca='/.../orcafolder/orca'

sander -O -i -p -c -r -x -y


Jia-Ning Wang
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Received on Tue Mar 02 2021 - 03:00:02 PST
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