[gmx-users] pull_pbcatom reporting strangely when set to 0

2010-06-21 Thread chris . neale
sults, right? Berk -- previous message -- Date: Sun, 20 Jun 2010 18:54:13 -0400 From: chris.neale at utoronto.ca To: gmx-users at gromacs.org Subject: [gmx-users] pull_pbcatom reporting strangely when set to 0 Dear gromacs users: I am confused (again) about pull_pbcatom0. From this analysis,

RE: [gmx-users] pull_pbcatom reporting strangely when set to 0

2010-06-21 Thread Berk Hess
that is consistent with your results, right? Berk > Date: Sun, 20 Jun 2010 18:54:13 -0400 > From: chris.ne...@utoronto.ca > To: gmx-users@gromacs.org > Subject: [gmx-users] pull_pbcatom reporting strangely when set to 0 > > Dear gromacs users: > > I am confused (again) a

[gmx-users] pull_pbcatom reporting strangely when set to 0

2010-06-20 Thread chris . neale
Dear gromacs users: I am confused (again) about pull_pbcatom0. From this analysis, I am questioning if the pbcatom reported from grompp and in the top of the .log file is numerically defined *within* a group or in the context of the entire .gro file. Either way, I think that I have conclu