Re: [gmx-users] Should I fix my drugs during membrane penetration simulation?

On 5/30/15 1:25 AM, yoochan wrote: Dear all, I’m trying to do umbrella sampling simulation which drugs penetrate the POPC membrane. I have trouble what if I do npt or umbrella simulation, the drugs move around from the initial location. (I got each 0.1 nm spacing window for npt and umbrella

[gmx-users] Should I fix my drugs during membrane penetration simulation?

Dear all, I’m trying to do umbrella sampling simulation which drugs penetrate the POPC membrane. I have trouble what if I do npt or umbrella simulation, the drugs move around from the initial location. (I got each 0.1 nm spacing window for npt and umbrella simulation) So, these results cannot