[gmx-users] MM/PBSA Gromacs

Dear Gromacs users Is there any script that does a PB or GB calculation to perform a MM/PB(GB)SA free energy calculation in Gromacs. Similar to the MMPBSA.py script available in Amber. I find a similar question raised by a user a couple of years back. Any successful implementation

Re: [gmx-users] MM/PBSA Gromacs

Hi! There is support in gromacs for gb calculations. However, I'm currently investigating some recent reports about unstable simulations (unfolding proteins), so my advice is to use the code with caution. Thanks /Per 30 nov 2011 kl. 20:04 skrev R.S.K.Vijayan biovija...@gmail.com: Dear