RE: [gmx-users] Invalid atom number 101717 in indexfile

2010-12-12 Thread Natalie Stephenson
] on behalf of Justin A. Lemkul [jalem...@vt.edu] Sent: 10 December 2010 13:52 To: Gromacs Users' List Subject: Re: [gmx-users] Invalid atom number 101717 in indexfile Natalie Stephenson wrote: > Hi, > > There are 101987 atoms in my system (2206 from my protein and the rest from > so

Re: [gmx-users] Invalid atom number 101717 in indexfile

2010-12-10 Thread Justin A. Lemkul
gmx-users-boun...@gromacs.org [gmx-users-boun...@gromacs.org] on behalf of Justin A. Lemkul [jalem...@vt.edu] Sent: 10 December 2010 12:26 To: Discussion list for GROMACS users Subject: Re: [gmx-users] Invalid atom number 101717 in indexfile Natalie Stephenson wrote: Hi, I've come across this e

RE: [gmx-users] Invalid atom number 101717 in indexfile

2010-12-10 Thread Natalie Stephenson
atalie xxx From: gmx-users-boun...@gromacs.org [gmx-users-boun...@gromacs.org] on behalf of Justin A. Lemkul [jalem...@vt.edu] Sent: 10 December 2010 12:26 To: Discussion list for GROMACS users Subject: Re: [gmx-users] Invalid atom number 101717 in indexfile Natalie Stephenson wrote: >

Re: [gmx-users] Invalid atom number 101717 in indexfile

2010-12-10 Thread Justin A. Lemkul
Natalie Stephenson wrote: Hi, I've come across this error when performing grompp of my pull files before an afm simulation. I'm not really sure I understand why it's saying it ... I've checked over my index file and the atom is part of the solvent I've solvated the box with during genbox c