subject:"\[gmx\-users\] Anealling"

Re: [gmx-users] Anealling

2011-02-07 Thread Justin A. Lemkul

TJ Mustard wrote: Hi all, I have been having issues with my system blowing up due to bad contacts. All of these contacts have been made by me when I have tried to "dock" or align my protein with my ligand in pymol. I do what I can to limit while still having the correct geometry and also

[gmx-users] Anealling

2011-02-07 Thread TJ Mustard

Hi all, I have been having issues with my system blowing up due to bad contacts. All of these contacts have been made by me when I have tried to "dock" or align my protein with my ligand in pymol. I do what I can to limit while still having the correct geometry and also being