Re: [gmx-users] Protein out of the box (not PBC problem)

- Original Message - From: Carla Jamous Date: Friday, September 10, 2010 19:15 Subject: [gmx-users] Protein out of the box (not PBC problem) To: Discussion list for GROMACS users > Hi everyone, > > please I can't figure out how to do this: > > I have a traject

[gmx-users] Protein out of the box (not PBC problem)

Hi everyone, please I can't figure out how to do this: I have a trajectory with water. If I concatenate it, since I have a FAT32 file system, it's a file too large! So I'm trying to avoid this. For that, I extracted my protein (it's a dimer) from each step of my simulation (when doing that, I di