one more note: The only thing AT17 does not have is pmemd (as Dan said earlier)
Hai
On Thu, Jul 13, 2017 at 1:18 PM, Daniel Roe <daniel.r.roe.gmail.com> wrote:
> 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
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Received on Thu Jul 13 2017 - 10:30:03 PDT
