Hi, I am stuck on this tutorial again. The command solvatebox NMA TIP3PBOX 15 does not work. The terminal says...
> solvatebox NMA TIP3PBOX 15
solvateBox: Argument #2 is type String must be of type: [unit]
usage: solvateBox <solute> <solvent> <buffer> [iso] [closeness]
Thanks!
________________________________
From: Corum, Katharine W
Sent: Wednesday, July 6, 2016 4:16:06 PM
To: AMBER Mailing List
Subject: Re: [AMBER] Amber16 tutorials
Thank you!
________________________________
From: Hai Nguyen <nhai.qn.gmail.com>
Sent: Wednesday, July 6, 2016 4:14:49 PM
To: AMBER Mailing List
Subject: Re: [AMBER] Amber16 tutorials
hi,
You need to download NMA_skeleton.pdb to your computer. There is a link in
the webpage: http://ambermd.org/tutorials/advanced/tutorial2/section1.htm
Also, in that page, change
$AMBERHOME/bin/xleap -s -f $AMBERHOME/dat/leap/cmd/leaprc.ff14SB
to
$AMBERHOME/bin/xleap -s -f $AMBERHOME/dat/leap/cmd/leaprc.protein.ff14SB
Hai
On Wed, Jul 6, 2016 at 5:07 PM, Corum, Katharine W <
katharine-corum.uiowa.edu> wrote:
> Hi! I am new to Amber. I have just installed Amber16. Are there any
> tutorials that work for Amber16? I have been trying to do tutorials but
> keep getting stuck since they are only updated for Amber15. I am interested
> in all tutorials, especially QM/MM ones.
>
>
> I would love to do this tutorial but I keep getting a message saying there
> is no NMA_skeleton.pdb file. Any help would be greatly appreciated!
>
>
> Thanks!
>
> Katie
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
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Received on Thu Jul 07 2016 - 08:00:03 PDT
