Hello,
I have a follow up question, in my system, there are glycans, do I always
need to use the bond commands to generate the disulfide bonds and the bonds
between Asp and glycans?
Best regards,
Rui
On Mon, Dec 16, 2019 at 5:27 PM Rui Chen <rchen6.ualberta.ca> wrote:
> Hello,
>
> I am running *MMGBSA* on our local cluster. I am confused with one of the
> commands.
> Sometimes "*source /etc/profile.d/modules.sh*" works, sometimes I got
> error "ImportError: Could not import Amber Python modules. Please make sure
> you have sourced /cm/shared/apps/amber16/amber.sh (if you are using
> sh/ksh/bash/zsh) or /cm/shared/apps/amber16/amber.csh (if you are using
> csh/tcsh)"
> So I used this command line to "*source /cm/shared/apps/amber16/amber.sh*"
> and it works.
>
> May I ask what's the difference between these two commands? Which one
> should I use?
>
> Best regards,
> Rui
>
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Received on Mon Dec 16 2019 - 20:00:02 PST
