I'm trying to install gromacs on linux cluster centos6. After successful installation I got an error for not finding pdb2gmx command. It seems like that it is for not addressing executable file Pathway. I used #whereis gromacs to find the installation location and making an address by PATH command, but I find this massage "no such file or directory". what should I do?
Thanks
Thanks for advice but -DCMAKE command doesn't work in system.
Now the problem is executing the command GMXRC in shell. I get below error:
[root@ce01 ~]# GMXRC
/usr/bin/GMXRC: line 35: return: can only `return' from a function or sourced script
/usr/bin/GMXRC: line 44: CSH:: command not found
/usr/bin/GMXRC.csh: line 8: syntax error near unexpected token `setenv'
/usr/bin/GMXRC.csh: line 8: `if (! $?LD_LIBRARY_PATH) setenv LD_LIBRARY_PATH ""'
I have sourced the GMXRC with:
#source/usr/bin/GMXRC
It seems like that I'm working with incorrect executing GMXRC. right?
this is my instruction link:
http://pkgs.org/centos-6/epel-x86_64/gromacs-openmpi-4.5.7-1.el6.x86_64.rpm.html
could you Please suggest some legible solution for this error?
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