[gmx-users] Implicit Solvent Gromacs 4.5.5, LINC errors in pulling simulations

Hi, I am running a pulling simulation with implicit solvent using Gromacs 4.5.5, single precision on 8 CPU, with OPLS-AA FFT. The system is equilibrated for 10 ns, with pbc=0 and infinite cut-off ( .mdp file is posted). I do not get any LINC errors for the equilibration, however when I start pu

[gmx-users] Implicit Solvent Gromacs 4.5.5, LINC errors in pulling simulations

Hi, I am running a pulling simulation with implicit solvent using Gromacs 4.5.5, single precision on 8 CPU, with OPLS-AA FFT. The system is equilibrated for 10 ns, with pbc=0 and infinite cut-off (.mdp file is posted). I do not get any LINC errors for the equilibration, however when I start pull

[gmx-users] Implicit Solvent Gromacs 4.5.5, LINC errors in pulling simulations

Hi, I am running a pulling simulation with implicit solvent using Gromacs 4.5.5, single precision on 8 CPU, with OPLS-AA FFT. The system is equilibrated for 10 ns, with pbc=0 and infinite cut-off (.mdp file is posted). I do not get any LINC errors for the equilibration, however when I start pull