[gmx-users] Voronoi tessellation

Hi all, Is my first time with phospholipids and I have questions about the Voronoi tessellation. I made a simulation of membrane with the insertion of fatty acids. Now I wanna calculate the 2D-Voronoi, but I don't know how can I make it. Do I need to choice some atoms? What kind of

[gmx-users] OPLS implicit solvent problems

267= Co in COOH opls_268= Oh in COOH opls_269= Oc in COOH neutral opls_270= H in COOH in the file gbsa.itp in opls.ff directory these atoms missing. Now, have I done something wrong? If is all ok, is it possible to create these missin

[gmx-users] (no subject)

Hi Pers, thank you for reply. I'm trying to add these missing atoms with your guideline, but I don't know if all parameters that I'm going to add are corrects. When you have a time, can you add these missing atoms in the program or can you help me to create a correct substitution of