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You can choose an avatar and change the default style by going to "Profile" → "Personality" or "Display".#1 2021-02-18 13:57:19
- alain
- Member
- Registered: 2021-02-16
- Posts: 4
[SOLVED] How to install TINKER with OpenMolcas
Dear all,
I have installed this new version of OpenMolcas and now I am trying to install TINKER, specifically version 6.3.3 which I understand is the one that works correctly with this version of OpenMolcas. But when the command "molcas get_tinker" was run, it began to download version 6.3.3 of TINKER and it was installed in a directory called "molcas" completely different from the directory where I have installed this version of OpenMolcas. I don't know how it was installed correctly, can someone please help me?
It should be noted that we already had TINKER version 6.3.2 installed, which worked with the previous OpenMolcas version.
Thank you very much for your help.
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#2 2021-02-18 14:40:39
- Ignacio
- Administrator
- From: Uppsala
- Registered: 2015-11-03
- Posts: 1,012
Re: [SOLVED] How to install TINKER with OpenMolcas
You should run "Tools/patch2tinker/get_tinker" directly from the source directory.
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#3 2021-02-19 13:47:53
- alain
- Member
- Registered: 2021-02-16
- Posts: 4
Re: [SOLVED] How to install TINKER with OpenMolcas
Hello,
Thank you very much for your help and your quick response. We now have TINKER 6.3.3 installed and working properly.
[OpenMolcas] # Tools / patch2tinker / get_tinker
Tinker will be downloaded to / home / OpenMolcas / OpenMolcas
Is this OK? [Y / n]
Y
Downloading tinker-6.3.3
--2021-02-19 13: 02: 52-- [url]http://dasher.wustl.edu/tinker/downloads/tinker-6.3.3.tar.gz[/url]
HTTP request sent, awaiting response ... 200 OK
Length: 20536231 (20M) [application / x-gzip]
Saving to: "tinker-6.3.3.tar.gz"
100% [============================================= =====================>] 20,536,231 1.13M / s in 18s
2021-02-19 13:03:11 (1.10 MB / s) - “tinker-6.3.3.tar.gz” saved [20536231/20536231]
The tinker symbolic link has been set to tinker-6.3.3
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mv xyzsybyl.x / home / OpenMolcas / OpenMolcas / tinker / bin / xyzsybyl
mv tkr2qm_s.x / home / OpenMolcas / OpenMolcas / tinker / bin / tkr2qm_s
Tinker compilation completed.Thanks a lot.
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