[gmx-users] Fwd: LINCS WARNING during EPM2 CO2 Energy Min

2017-10-18 Thread Pimo Oni
Dear community members, Recently I'm using GMX 5.1.4 to simulate EPM2 CO2 with virtual sites, while I met continual LINCS WARNING. I've been struggling for more than week but make no progress in fixing it.. : ( Here attach my pdb, top, and mdp files below. I would much appreciate any tip &

[gmx-users] LINCS WARNING during EPM2 CO2 Simulation

2017-10-18 Thread Pimo Oni
Dear community members, Recently I'm using GMX 5.1.4 to simulate EPM2 CO2 with virtual sites, while I met continual LINCS WARNING. I've been struggling for more than week but make no progress in fixing it.. : ( Here attach my pdb, top, and mdp files below. I would much appreciate any tip &