[gmx-users] Reg. Umbrella sampling problem with direction

2017-08-01 Thread 가디 장데부 고라크스나트
Hello Everyone, I am novice in umbrella sampling. I did followed Dr. Justin's tutorial and it works fine for me. However, I would like to transport solute (along z-axis) from an ion channel (intracellular to extracellular site) so I made the system (Protein+solute+DPPC+Sol+ion) and came upto t

[gmx-users] Reg. Umbrella sampling problem with direction

2017-07-31 Thread 가디 장데부 고라크스나트
Hello Everyone, I am novice in umbrella sampling. I did followed Dr. Justin's tutorial and it works fine for me. However, I would like to transport solute (along z-axis) from an ion channel (intracellular to extracellular site) so I made the system (Protein+solute+DPPC+Sol+ion) and came upto t