Re: [gmx-users] Gromacs - Difference between target temperature and pressure in mdp and simulation

2019-11-26 Thread Fabio Bologna
runs? Thank you again for your time, have a nice day! <<<<<<<<<<<<<<<< Fabio Bologna PhD student in Nanoscience for Medicine and the Environment Department of Chemistry 'G. Ciamician' University of Bologna >>>>&g

[gmx-users] Gromacs - Difference between target temperature and pressure in mdp and simulation

2019-11-25 Thread Fabio Bologna
ing error on the hardware part? I'm addition, I've attached the .mdp file I used in the production runs. I am sorry for this long e-mail, I hope you can help me figure out what’s wrong. Thank you in advance for your time and patience. <<<<<<<<<<<