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As per suggestion given by the app developer in my mailDue to some inability of CPU, i am unable to run 'vmd' by direct command "vmd" in terminal. Instead i have to type 3 commands :

/bin/sh:
export VMDNOOSPRAY=1
vmd

And i have to type this 3 commands every time i have to open vmd. The solution for this is to edit my .bashrc file located in home directory and set up a command: 

export VMDNOOSPRAY=1

I had tried to edit the .bashrc file from terminal and write simply the command given above at last of the file but it didn't help. So i get no idea about it?

Thanks in advance.

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  • .bashrc isn't located in /bin. Where did you find the solution? – Kulfy Apr 8 '20 at 14:24
  • oops sorry, its in home directory. – Ram Krishna Adhikari Apr 8 '20 at 14:26
  • vmd is a tool to visualise and analyse molecular structure used mostly in molecular dynamics. My CPU lacks support for SSE 4.1 instructions required by the Intel OSPRAY ray tracing engine that is included in VMD. And the suggestion is given by the app developer. Including command in .bashrc file, upon giving 'vmd' command it directly opens vmd (i.e. i need not have to enter first two command); if not it will give error of absence of SSE 4.1 in cpu. @Kulfy – Ram Krishna Adhikari Apr 8 '20 at 17:42
  • I have added the link to the screenshot of suggestion given by the app developer to me in my question also. Hope it makes you clear too. @Kulfy – Ram Krishna Adhikari Apr 8 '20 at 17:52
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The support guy meant that you need only to place export VMDNOOSPRAY=1 in you .bashrc file.

Note that after placing it there you might want to relogin or restart the shell so the .bashrc file is re-read by the shell.

It also might be that your shell is not bash. That's why the support guy asks you what output the echo $SHELL command displays? If it's not bash you might want to set VMDNOOSPRAY=1 somewhere else than .bashrc depending on your shell.

Hope it helps.

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  • Yes my shell is bash. And i do not want to re-enter the above codes before running vmd. But as i had restart my laptop then i have to re-enter the code. THat is i just want to permanently set the code in system file (.bashrc) as per his suggestion. @vitalio – Ram Krishna Adhikari Apr 9 '20 at 11:32
  • Well in this case adding export VMDNOOSPRAY=1 in your ~/.bashrc should suffice. Does it work? If not then depending on your config and how you login it might that you need to place export VMDNOOSPRAY=1 in your ~/.bash_profile or even better if you understand what you're doing read ~/.bashrc from your ~/.bash_profile. Normally this is standard practice now, but who knows what do you have on your system. – vitalio Apr 9 '20 at 14:19

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