Re: [gmx-users] Freezing Groups

Thank you very much Mark for your response. OK, if the [exclusions] way seems reasonable, I'll write the script and test it. I am also curious about knowing something. The manual says that "When all non-bonded interactions within or between groups of atoms need to be excluded, is it more conv

Re: [gmx-users] Freezing Groups

Reza Salari wrote: Hi everybody, I want to do a simulation using frozen groups and it seems it is much more difficult than I first thought. I searched the mailing list and I still have problems that I can't figure out. It is much appreciated if help me with these problems or point me in the r

[gmx-users] Freezing Groups

Hi everybody, I want to do a simulation using frozen groups and it seems it is much more difficult than I first thought. I searched the mailing list and I still have problems that I can't figure out. It is much appreciated if help me with these problems or point me in the right direction. The