Bart Bruininks

Hoi, I would say if we don't want to fix it. We could change the error. If there is an #include in the itp, it could be stated that this...

I will try this fix, for now the second option I suggested is working so I think I am happy.

Hoi Fogleman, I have a small working example for the SDF volume using the meshing approach. In it I generate some random coordinates to use for creating the SDF molecules....

Hoi, I made a small test example using real molecules and their coarse grained representation. You can find the files here . The link will stay active for a few...

Sorry for spamming you, but could you let me know if these return emails are actually received? Cheers, Bart Op do 17 nov. 2022 om 13:09 schreef Bart Bruininks ***@***.***...

Ahh nice :D yhea I run into thi issue quite often so who knows I might need it again! The complete problem I was trying to solve was to find...

Sounds good to me. This leaves me with some questions about the vbonds attribute. If the vsites are in a separate attribute. What is the format of this. Vsites come...

I think it is pretty clear what is intended, however, I do not know if I have time and the understanding to add the additional vsites attributes and make sure...

I was wondering if this is till an active topic. It seems to still be broken.

I will read the previous discussion before I start repeating ideas. Nevertheless, I think this is an important feature, especially for Martini as virtual sites are (omni)present in small molecules....