Yanze Wang
Yanze Wang
Hi Bussi @GiovanniBussi , Thanks for your great suggestions and instructions. I have read all the websites you have mentioned. And I also encountered some problems when I am coding...
Hi Bussi @GiovanniBussi , Thanks again for your reply. I change the function to PLUMED_CHECK_CXX_PACKAGE. Now the configure.ac looks quite like the demo you gave me. However, the it still...
Hi Bussi @GiovanniBussi, It works! I passed the `./configure` check now. The new problems is that, when I use `make` command, it will output: ``` make[6]: Leaving directory `/home/dongdong/wyz/plumed2/src/core' make...
OpenMM version 8.0
For Question 1, I found that the searching criteria for "#include forcefield.itp" should change. If no forcefields are included in the `top` file, we can search for `[ defaults ]`...
> Hi @Fplanas92 , Yeah, that’s my solution to it.
Hi @luancarvalhomartins, Cheers on your new positions. My `.top` files are generated by `ambertools` and converted by `Parmed`. So it doesn't have `#include`. Instead, it contains all of the necessary...
how to exaimine the output of unidock_tools?