Re: [gmx-users] 2019.3 - Fixed Issue 2953: With DD, all intermolecular interactions were ignored?

Hi Mateusz, The intermolecular interactions meant here are the one that can be specifically defined as [ intermolecular_interactions ] in the topology (e.g. used to define distance restraints, between different molecules, see the manual). So you shouldn't have to worry about the general

Re: [gmx-users] Segmentation fault, core dumped error

There’s a tiny register link in the uppercut right corner, easy to miss On Thursday, May 30, 2019, Neena Susan Eappen < neena.susaneap...@mail.utoronto.ca> wrote: > Hi Paul Bauer, > > I do not have an account on redmine.gromacs.org neither that page allows > me to create an account. Please let

Re: [gmx-users] nmr distance restraints

E On Mon, May 13, 2019 at 2:49 PM Eiso AB wrote: > Hi, > I've setup an mdrun with [ distance restraints ] but the restraints don't > seem to have any effect on the simulation, so I'm wondering if there's > anything i need to do to switch them on that I missed. > > gmx disre or gmx

[gmx-users] nmr distance restraints

Hi, I've setup an mdrun with [ distance restraints ] but the restraints don't seem to have any effect on the simulation, so I'm wondering if there's anything i need to do to switch them on that I missed. gmx disre or gmx nmr doesn't give any info about restraints. and the .log file doesn't show