Hello, could you please tell us which graphics card you have? This seems to indicate a GPU issue.

Indeed in the current version of the Gromacs Wizard, you will need to have a force field which allows for both biomolecules and CNTs. Then you can add such a force field in the settings of the module. However using a 'one-shot parameterization' (e.g. using the ATB server) will not work at the moment with the Gromacs Wizard.

Hi Eva, maybe you can also try the Protein Path Finder (PPF), which gives you more control about the motion. E.g. here's a quick test below where I "unfolded" 1YRF using the Twister editor, with one part essentially not moving. Then I used UFF and FIRE as parameters in the path search, and two control points (one in the static part, and one in the mobile part). Note that the path can then be smoothed by the P-NEB module.

Hello,

The issue is that SAMSON was installed as Administor. Can you please try to activate User Access Control (UAC) so that Windows does not install SAMSON as admin? Here's a link about how to do that: https://www.technipages.com/windows-enable-disable-user-account-control-uac

Please set UAC to e.g. "Always notify" (you can set it back to the previous setting afterwards).

Then, please restart your computer, and install SAMSON again.

Please let me know how this goes.

Thanks,

Stephane

Awesome, you're welcome! Happy designing!

Thanks. This strongly suggests that the runtime was not installed correctly: vcruntime140_1.dll cannot be found. Please download it from the site indicated in the module description. The direct link is https://aka.ms/vs/16/release/vc_redist.x64.exe.

This does not seem to be the correct folder. You should not go to C:\Users\hpnk9\OneAngstrom but to C:\Users\hpnk9\AppData\Local\OneAngstrom\SAMSON-Data\0.8.5\Scratch\Elements\DDA2A078-1AB6-96BA-0D14-EE1717632D7A. Note that AppData might be hidden, so you might have to show them in explorer settings. (You could also directly copy-paste this path in the explorer).

Hello, is this Windows 7? Can you please try to activate User Access Control (UAC) so that Windows does not install SAMSON as admin? Here's a link about how to do that: https://www.dummies.com/computers/computer-networking/using-a-network/how-to-change-user-account-control-settings-in-windows-7/

Please set UAC to e.g. "Always notify" (you can set it back to the previous setting afterwards).

You will probably have to restart your computer. Then, you should reinstall SAMSON.

Please let me know how this goes.

Thanks,

Stephane

Hi @Phuong, could you please analyze the dependencies of the module on your computer?
Here's how to do it:

• download the Dependencies tool from https://github.com/lucasg/Dependencies/releases/download/v1.10/Dependencies_x64_Release.zip
• unzip everything in a folder
• run DependenciesGUI.exe
• With the DependenciesGUI tool, open the file C:\Users\ [Your user name] \AppData\Local\OneAngstrom\SAMSON-Data\0.8.5\Scratch\Elements\DDA2A078-1AB6-96BA-0D14-EE1717632D7A\DDA2A078-1AB6-96BA-0D14-EE1717632D7A.dll

Could you please report which dlls appear to be missing?

Thanks,

Stephane

Thanks Ibrahima! Let us know if we can help in any way.