This is a good idea. We should also do this when we deprecate namelist
options etc. I can make a fake chamber program to tell people about
parmed if no one else is doing so.
-Dan
On Fri, Oct 6, 2017 at 6:38 PM, Hai Nguyen <nhai.qn.gmail.com> wrote:
> Hi all
>
> We have been seeing similar emails from users.
> I think we should not silently turn off the program and hope user to read
> 1000 page manual.
>
> I think the typical way is to make dummy program and tell user to use the
> alternative program (parmed in this case).
>
> Cheers
> Hai
>
> ---------- Forwarded message ---------
> From: Sundar <jubilantsundar.gmail.com>
> Date: Fri, Oct 6, 2017 at 6:02 PM
> Subject: [AMBER] chamber is unavailable from terminal MacOS
> To: <amber.ambermd.org>
>
>
> Dear Amber community,
>
> I am trying to use AMBER's MMPBSA capability. I have a NAMD dcd and would
> like to use it in calculating receptor-ligand binding free energy.
>
> To do that, I installed AmberTools17 and was trying to call in 'chamber'
> program to convert CHARMM topologies to Amber topology files. I am unable
> to call chamber from terminal in my Mac OS. Other tools like pdb4amber etc.
> are there from terminal. Does chamber is not present in $AMBERHOME?
>
> Help me find and run the program successfully. Also let me know if MMPBSA
> reads in dcd files with no issues.
>
> Thanks,
> Jubilant
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--
-------------------------
Daniel R. Roe
Laboratory of Computational Biology
National Institutes of Health, NHLBI
5635 Fishers Ln, Rm T900
Rockville MD, 20852
https://www.lobos.nih.gov/lcb
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Received on Tue Oct 10 2017 - 10:00:03 PDT
