Thanks!
On Fri, 2019-06-14 at 06:40 +0000, Elvis Martis wrote:
> 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 - 03:30:03 PDT
