RE: [gmx-users] g_mindist -or inconsistencies with atom-pairs

2009-12-23 Thread Shay Amram
Thank you very much Ran, Will do. -Shay -Original Message- From: gmx-users-boun...@gromacs.org [mailto:gmx-users-boun...@gromacs.org] On Behalf Of Ran Friedman Sent: Tuesday, December 22, 2009 16:53 To: Discussion list for GROMACS users Subject: Re: [gmx-users] g_mindist -or

Re: [gmx-users] g_mindist -or inconsistencies with atom-pairs

2009-12-22 Thread Ran Friedman
Dear Shay, What do you get when -or is present? Do the atoms always belong to the same residues? I suspect that since the calculation of the minimal distance is made for all residues, what you get at the end is the atoms at minimal distance between the last two residues. This seems like a bug and