Just use xleap from AmberTools 17. The environment will already be set
up via sourcing that script.
-Dan
On Thu, Jul 13, 2017 at 8:32 AM, Saikat Pal <saikatpaliitg.yahoo.com> wrote:
> Thank you, Sir, for your kind response. Using Ambertools 17 cpptraj works fine. Can I use xleap of amber 16?? is this work??
> Thanks and regards, Saikat Pal
>
>
>
> On Thursday 13 July 2017, 5:34:58 PM IST, Daniel Roe <daniel.r.roe.gmail.com> wrote:
>
> On Thu, Jul 13, 2017 at 2:18 AM, Saikat Pal <saikatpaliitg.yahoo.com> wrote:
>> make[2]: Leaving directory '/home/saikat/AMBER/amber-14/amber16/AmberTools/src'
>>
>> Installation of AmberTools17 serial is complete at Thu Jul 13 11:19:47 IST 2017.
>>
>> make[1]: Leaving directory '/home/saikat/AMBER/amber-14/amber16/AmberTools/src'
>> ==============================================================
>> /home/saikat/AMBER/amber-14/amber16//src/Makefile not found, or -noamber was set.
>> This is expected if you do not have Amber16.
>> ==============================================================
>
> As the message states, AmberTools 17 installed just fine. The last
> message is just letting you know that you don't have Amber 16, so all
> is well.
>
>> Error: Could not import Amber Python modules!
>> Probably your Amber Python environment was not set up correctly.
>>
>> We recommend adding the line:
>>
>> test -f /home/saikat/AMBER/amber-14/amber16//amber.sh && source /home/saikat/AMBER/amber-14/amber16//amber.sh (sh/bash/zsh)
>> or
>> test -f /home/saikat/AMBER/amber-14/amber16//amber.csh && source /home/saikat/AMBER/amber-14/amber16//amber.csh (csh/tcsh)
>>
>> to your login shell resource file (e.g., ~/.bashrc or ~/.cshrc).
>
> This message is about as clear as error messages get. You need to
> 'source /home/saikat/AMBER/amber-14/amber16//amber.sh' (or the .csh
> version if you have C shell).
>
> -Dan
>
>> Makefile:8: recipe for target 'test' failed
>> make[1]: *** [test] Error 1
>> make[1]: Leaving directory '/home/saikat/AMBER/amber-14/amber16/AmberTools/test'
>> Makefile:61: recipe for target 'test.serial' failed
>> make: *** [test.serial] Error 2
>>
>>
>>
>> what should I do ??plz help me out.
>> Thanks and regards,
>> Saikat Pal
>> On Wednesday 12 July 2017, 8:51:27 PM IST, Daniel Roe <daniel.r.roe.gmail.com> wrote:
>>
>> Use amber16, and source the amber.sh (or amber.csh) file that is
>> created therein to set up your environment. The only thing from
>> amber14 that isn't in AmberTools 17 is pmemd, and that does not
>> require that AMBERHOME is set.
>>
>> -Dan
>>
>> On Wed, Jul 12, 2017 at 11:01 AM, Saikat Pal <saikatpaliitg.yahoo.com> wrote:
>>> Dear all,
>>> I want to install Amber 14 with AMBER 17 tools.When I untar AmberTools17.tar.bz2 it creates amber16 folder and Amber14.tar.bz2 it creates amber14 .There are 2 folders generated.Which one should I export for AMBERHOME?Plz help me out .
>>> Thanks and regards
>>> Saikat
>>> _______________________________________________
>>> AMBER mailing list
>>> AMBER.ambermd.org
>>> http://lists.ambermd.org/mailman/listinfo/amber
>>
>>
>>
>> --
>> -------------------------
>> 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
>>
>> _______________________________________________
>> AMBER mailing list
>> AMBER.ambermd.org
>> http://lists.ambermd.org/mailman/listinfo/amber
>> _______________________________________________
>> AMBER mailing list
>> AMBER.ambermd.org
>> http://lists.ambermd.org/mailman/listinfo/amber
>
>
>
> --
> -------------------------
> 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
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
--
-------------------------
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
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Jul 13 2017 - 10:30:03 PDT
