Re: [gmx-users] Pulling Simulation Query

2010-09-27 Thread Justin A. Lemkul
Natalie Stephenson wrote: Hi ... Just wondering if there's a way, during pulling simulations, to immobilise say the C-terminus of the protein. I've been running through the 'Umbrella Sampling' tutorial with my own protein. Within this tutorial the ChainB is used as the immobile referenc

[gmx-users] Pulling Simulation Query

2010-09-27 Thread Natalie Stephenson
Hi ... Just wondering if there's a way, during pulling simulations, to immobilise say the C-terminus of the protein. I've been running through the 'Umbrella Sampling' tutorial with my own protein. Within this tutorial the ChainB is used as the immobile reference - so it is this that is posit