RE: [gmx-users] renumbering residue numbers for version 4.0.2

2013-03-29 Thread Nash, Anthony
From: gmx-users-boun...@gromacs.org [gmx-users-boun...@gromacs.org] on > behalf of Mark Abraham [mark.j.abra...@gmail.com] > Sent: 29 March 2013 14:17 > To: Discussion list for GROMACS users > Subject: Re: [gmx-users] renumbering residue numbers for version 4.0.2 > > On Fri, Mar

Re: [gmx-users] renumbering residue numbers for version 4.0.2

2013-03-29 Thread Mark Abraham
gt; ~/gromacs-localpressure/bin/grompp_d -c starting_config.gro -n lateral.ndx > -p ../../mut_system_renumber.top -o local_pressure -f local_pressure.mdp > > Any thoughts? > Many thanks > > > From: gmx-users-boun...@gromacs.org [gmx-us

RE: [gmx-users] renumbering residue numbers for version 4.0.2

2013-03-29 Thread Nash, Anthony
gromacs.org] on behalf of Mark Abraham [mark.j.abra...@gmail.com] Sent: 29 March 2013 14:17 To: Discussion list for GROMACS users Subject: Re: [gmx-users] renumbering residue numbers for version 4.0.2 On Fri, Mar 29, 2013 at 2:10 PM, Nash, Anthony wrote: > Apologies if this has been covered onc

Re: [gmx-users] renumbering residue numbers for version 4.0.2

2013-03-29 Thread Mark Abraham
On Fri, Mar 29, 2013 at 2:10 PM, Nash, Anthony wrote: > Apologies if this has been covered once before, I've had a hearty search > and I've yet to find anything. > > I have just installed a modified verison of Gromacs 4.0.2 which calculate > lateral pressure. However, when I run grommp I get: > >