I need the topology for a system with more than 1000 atoms. What can I do?
This is by far the most frequently asked question ever. I am happy to provide a definitive answer.
Please download an obgmx executable (or singularity container) that you can run locally on you machine to generate topologies to your heart's content.
If you really, really, really need help you can always try to convince me; my contact info is below. However, please notice that my research interests have slowly but steadily drifted away from OBGMX-related issues, so I might not be able to assist.
How do I pronounce OBGMX?
Well, that's hard to explain. I usually pronounce it by spelling the letters in Italian.
Alternatively, you can pronounce it in the same way as the Star Wars character Obi-Wan.
OB-1? Do you mean that there will be OB-2, OB-3, ... and so on?
Maybe... I have a few ideas about where going to from there. In particular, I am planning to produce topologies in LAMMPS format (and that would be OB-2), although this is not among my top priorities right now.
However, you are welcome to drop me a line and try to convince me.
OBGMX outputs a wrong topology! Can you help me?
I am afraid that in general the answer to that question would be Sorry, I can't.
Nevertheless, please send me a detailed bug report of what you obtained, including at least:
Please be aware that the resources that I could dedicate to this project are limited and I might not be able to fix all the problems, let alone reply to all the reports.
- Your original input file.
- The output files from OBGMX.
- A detailed report of what do you think is wrong. This means that you should try your best to convince me that the output is wrong.
- A detailed explanation of what the output should have looked like, and why.
However, your interest in OBGMX and your willingness to help will be greatly appreciated.
Hey, this service is just great! How can I thank you in a more substantial way?
All right... no one has never ever asked anything like that, but wouldn't that be nice?
If you found OBGMX useful in your research, you are welcome to cite my paper about it.
If you really need to express you gratitude, I wouldn't mind a "thank you" note. My e-mail address is just below here.
I diligently read all the documentation I could find, but I
still have a question about OBGMX.
Whom should I send my enquiries to?
That would be Giovanni Garberoglio, garberoglio [AT] ectstar [DOT] eu
Thank you for your interest in OBGMX.
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