RE: [gmx-users] help with g_hydorder and g_polystat

2013-05-02 Thread Emmanuel, Alaina
] Sent: 01 May 2013 22:58 To: Discussion list for GROMACS users Subject: Re: [gmx-users] help with g_hydorder and g_polystat On 5/1/13 8:44 AM, Emmanuel, Alaina wrote: No, using a trajectory file with g_hydorder hasn't made any difference. The error is still the same. When I use g_polystat, I use

Re: [gmx-users] help with g_hydorder and g_polystat

2013-05-01 Thread Justin Lemkul
From: gmx-users-boun...@gromacs.org [gmx-users-boun...@gromacs.org] on behalf of Justin Lemkul [jalem...@vt.edu] Sent: 30 April 2013 16:10 To: Discussion list for GROMACS users Subject: Re: [gmx-users] help with g_hydorder and g_polystat On 4/30/13 6:24 AM, Emmanuel

RE: [gmx-users] help with g_hydorder and g_polystat

2013-05-01 Thread Emmanuel, Alaina
To: Discussion list for GROMACS users Subject: Re: [gmx-users] help with g_hydorder and g_polystat On 4/30/13 9:00 PM, Emmanuel, Alaina wrote: Hello Justin, My mdp file shows that the pbc was set to xyz. Instead of analyzing a coordinate file, does it work with a trajectory? Regarding g_polystat

Re: [gmx-users] help with g_hydorder and g_polystat

2013-05-01 Thread Justin Lemkul
On 5/1/13 8:44 AM, Emmanuel, Alaina wrote: No, using a trajectory file with g_hydorder hasn't made any difference. The error is still the same. When I use g_polystat, I use the following command: g_polystat_d -f file.xtc -s file.tpr -n polymer_backbone.ndx -p persist.xvg -o polystat.xvg

[gmx-users] help with g_hydorder and g_polystat

2013-04-30 Thread Emmanuel, Alaina
Dear All, I'm fairly new to gromacs and having a bit of problem with the g_hydorder and g_polystat. Thanks in advanced for your time. For g_hydorder, I get a fatal error when I type the following command: g_hydorder_d -f file.gro -s file.tpr -n waters.ndx -o file1.xpm file2.xpm Error:

Re: [gmx-users] help with g_hydorder and g_polystat

2013-04-30 Thread Justin Lemkul
On 4/30/13 6:24 AM, Emmanuel, Alaina wrote: Dear All, I'm fairly new to gromacs and having a bit of problem with the g_hydorder and g_polystat. Thanks in advanced for your time. For g_hydorder, I get a fatal error when I type the following command: g_hydorder_d -f file.gro -s file.tpr -n

RE: [gmx-users] help with g_hydorder and g_polystat

2013-04-30 Thread Emmanuel, Alaina
for GROMACS users Subject: Re: [gmx-users] help with g_hydorder and g_polystat On 4/30/13 6:24 AM, Emmanuel, Alaina wrote: Dear All, I'm fairly new to gromacs and having a bit of problem with the g_hydorder and g_polystat. Thanks in advanced for your time. For g_hydorder, I get a fatal error when I

RE: [gmx-users] help with g_hydorder and g_polystat

2013-04-30 Thread Emmanuel, Alaina
for GROMACS users Subject: Re: [gmx-users] help with g_hydorder and g_polystat On 4/30/13 6:24 AM, Emmanuel, Alaina wrote: Dear All, I'm fairly new to gromacs and having a bit of problem with the g_hydorder and g_polystat. Thanks in advanced for your time. For g_hydorder, I get a fatal error when I