]
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
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
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
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
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:
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
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
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
8 matches
Mail list logo