[gmx-users] GROMACS 2019-rc1 install issues

2020-03-30 Thread Nicolás Marcelo Rozas Castro
Hi everyone, I'm a beginner user of GROMACS, and I'm having some troubles with the installation. I follow the instruction in http://manual.gromacs.org/documentation/2019-rc1/install-guide/index.html , but when i run "make", appear the error shown in file attached. Any advice will be appreciated.

[gmx-users] Drude polarization, practical matters

2020-03-24 Thread Nicolás Marcelo Rozas Castro
Hi everyone, I'll be straight, my questions are: 1. It is possible to use Drude model in GROMACS 5.1.5? 2. How exactly this is done? If someone had an input file example (pdb and/or itp) and can share it i'll appreciate. Thank a lot!! Nicolas Rozas Castro Universidad de Chile -- Gromacs Users