baba-hashimoto

I would like to ask a question regarding the above problem. I ran tutorial01 the other day. If I comment out all the following lines as the default, it works...

Thank you for your quick reply Here are command python ../../prepare_dual_topology.py --config_file=step2.ini --output_hidden_temp_dir=False Here are the errors we got. [ERROR] This is likely caused by a failing to edit the...

I'm sorry for the late response. I have saved the results of running the program in the following link, please check them. The same data is used in both cases....

The actual problem is quite simpler that I tough. In .ini files (as read by configparser (see: https://docs.python.org/3/library/configparser.html)), lines starting with spaces are treated as multiline values: The point above...

Thank you for your help last time. This time, when I set output_scripttype to pbs, I got the following error. When output_scripttype is slurm, it worked fine. I am writing...

Thanks for your quick support. it works fine.

I asked the developers about the case. As a result, I received the following comments. "If handled by throwing an exception, the rerun code could catch it and continue." I...

It seems to have recently gone up on the revised list. I have not been able to work on this project recently because I have been busy with other work,...

Gromacs2022.1 has been released and I ran the sample and got the following error. There is nothing wrong with the file or other files. When I used the same files...

Thank you for your quick check. When I use python 3.6, the latest version of matplotlib is 3.3.4 installed. Then I found that I get an error when I run...