[gmx-users] Fwd: Lysosyme in water

shivanigupta.gupta6 at gmail.com shivanigupta.gupta6 at gmail.com
Mon Jun 5 06:45:54 CEST 2017


Dear Gromacs

I am new and a beginner to this system. I am trying to learn through
tutorials for version 5. When i performed i got the following error .
[shivani at POLY3 tut1]$ editconf -f 1AKI_processed.gro -o 1AKI_newbox.gro -c
-d 1.0 -bt cubic
-bash: editconf: command not found
[shivani at POLY3 tut1]$ gmx editconf -f 1AKI_processed.gro -o 1AKI_newbox.gro
-c -d 1.0 -bt cubic
-bash: gmx: command not found
[shivani at POLY3 tut1]$ gmx_mpi  editconf -f 1AKI_processed.gro -o
1AKI_newbox.gro -c -d 1.0 -bt cubic
-bash: gmx_mpi: command not found
[shivani at POLY3 tut1]$ gmpp  editconf -f 1AKI_processed.gro -o
1AKI_newbox.gro -c -d 1.0 -bt cubic
-bash: gmpp: command not found
[shivani at POLY3 tut1]$ ls
1AKI.pdb  1AKI_processed.gro  posre.itp  topol.top
[shivani at POLY3 tut1]$ ll
total 812
-rw-rw-r-- 1 shivani shivani 116316 Jun  1 15:24 1AKI.pdb
-rw-rw-r-- 1 shivani shivani  98776 Jun  1 15:10 1AKI_processed.gro
-rw-rw-r-- 1 shivani shivani  31304 Jun  1 15:10 posre.itp
-rw-rw-r-- 1 shivani shivani 576928 Jun  1 15:10 topol.top
[shivani at POLY3 tut1]$

Can you help me in fixing the same .

Thanks
Regards
Shivani


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