Re: [gmx-users] Could you help me deal with GC-AdResS approach implemented in Gromacs?

2020-03-03 Thread John Whittaker
Hi Ekatherina, I currently develop AdResS (I am the successor to the post-doc who uploaded the files to the e-cam site) and would be happy to help, but since Gromacs no longer supports AdResS, perhaps we should continue the conversation off the user list. If you'd like to talk about the method or

[gmx-users] Could you help me deal with GC-AdResS approach implemented in Gromacs?

2020-03-02 Thread Екатерина Одинцова
Could you help me deal with GC-AdResS approach implemented in Gromacs? Recently I learned about the GC-AdResS approach implemented in Gromacs (https://www.researchgate.net/publication/326361115_Adaptive_resolution_molecular_dynamics_technique_Down_to_the_essential et.al.) I downloaded and