Hello Gert,
You need to type "tleap" or "xleap" in your command prompt to load the necessary force field files.
you must follow this
source /home/gert/amber18/amber.sh or amber.csh
tleap or xleap (former is text mode and latter is graphics mode)
source leaprc.protein.ff14SB (or any other)
<follow the rest of the tutorial>
Hope this helps
Best Regards
Elvis Martis
________________________________
From: Gert Kruger <KRUGER.ukzn.ac.za>
Sent: 14 June 2019 11:47
To: amber.ambermd.org
Cc: rosscwalker.gmail.com
Subject: [AMBER] bash: leaprc.protein.ff14SB: No such file or directory
Dear All,
I am new and apologise if my question is unwarrented.
I am doing the Leap tutorial at
http://ambermd.org/tutorials/pengfei/index.php
The command "source leaprc.protein.ff14SB" gives the following error:
"bash: leaprc.protein.ff14SB: No such file or directory"
The previous command worked: " pdb4amber -i 1FSC.pdb -o 1FSB_amb.pdb --
dry --reduce"
I have Amber 18 installed on Ubuntu 19.04 with Ambertools 19. The test
command gave 3 minor errors with the 8 threats option (after parallel
install). My Amber home directory is: /home/gert/amber18
I created a "tutorial" subdirectory under "amber18" where the tutorial
files are.
I see the same command (source leaprc.protein.ff14SB) appears on page
33 of the Amber19 manual, so the forcefield appears to be current?
I did not find the same error in the archives of the Amber Email list.
Saw a previous error for "leaprc.ff14SB", but that does not seem to
help me?
You kind help will be much appreciated!
Gert Kruger
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Received on Fri Jun 14 2019 - 00:00:02 PDT
