Re: [ccp4bb] Electrostatic Potential: Poisson-Boltzmann criteria

2017-12-17 Thread Gert Vriend
That is a simple question with a long and tedious answer. The question is like: "I have this protein crystal, can you suggest some ways to solve the structure"? The best is to leave this to an expert in the field (I am not a real expert in this field, but I can give you some pointers of the

[ccp4bb] Electrostatic Potential: Poisson-Boltzmann criteria

2017-12-16 Thread chemocev marker
Hi I am just calculating the Electrostatic Potential, and I wanted to know your opinion which force field is better.What is criteria to choose and not to choose the pKA... best Jiri