Re: [gmx-users] problem about distance restraint in REMD simulation

go to src/gmxlib/disre.c and change > > if (dd->dr_tau != 0 || ir->eDisre == edrEnsemble || cr->ms != NULL > || > > to > > if (dd->dr_tau != 0 || ir->eDisre == edrEnsemble || > > and recompile and reinstall. > > Mark > > On Sun, Ju

[gmx-users] problem about distance restraint in REMD simulation

Dear Users: I have a system with four distance restraints to maintain a hydrogen-bonding network in REMD simulation. While when I applied the distance restraint, the REMD simulation is only ok when applied single CPU for each replica. When I applied more than one CPU for each replica, there