Thank you, sirs, for your kind responses.I have sourced the bash file and it is working fine for cpptraj. But in the case of the leap this error is showing:
saikat.saikat:~$ export AMBERHOME=/home/saikat/AMBER/amber-14/amber16
saikat.saikat:~$ /home/saikat/AMBER/amber-14/amber16/bin/xleap -s -f /home/saikat/AMBER/amber-14/amber16/dat/
-I: Adding /home/saikat/AMBER/amber-14/amber16/dat/leap/prep to search path.
/home/saikat/AMBER/amber-14/amber16/dat/leap/prep: No such file or directory
saikat.saikat:~$ /home/saikat/AMBER/amber-14/amber16/bin/xleap -s -f /home/saikat/AMBER/amber-14/amber16/dat/
0README map.NEF-AMBER PROTON_INFO reduce_wwPDB_het_dict.txt XaLeap_wcl
map.DG-AMBER pixmap/ PROTON_INFO.pdbv2 slko/
There is no folder of leap.
What should I do ?Please help me out.
Thanks and regards ,
Saikat
On Thursday 13 July 2017, 11:53:29 PM IST, Bill Ross <ross.cgl.ucsf.edu> wrote:
Once you have modified .bashrc you need to 'source' it by
$ . ~/.bashrc
Bill
On 7/13/17 4:08 AM, Saikat Pal wrote:
> I have added test -f /home/saikat/AMBER/amber-14/amber16//amber.sh && source /home/saikat/AMBER/amber-14/amber16//amber.sh (sh/bash/zsh) in the .bashrc file but same error have shown. What should I do? Actually I want to analyse using AMBERTOOLS 17 for cpptraj.I have AMBERTOOLS 17 And AMBER 14 .please help me out .
> Thanks and regards,
> Saikat
>
>
>
> On Thursday 13 July 2017, 2:05:22 PM IST, Bill Ross <ross.cgl.ucsf.edu> wrote:
>
>
>
> On 7/12/17 11:18 PM, Saikat Pal wrote:
>> 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).
>
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Received on Fri Jul 14 2017 - 05:30:03 PDT
