Thanks
On Wed, Oct 3, 2012 at 6:04 AM, Justin Lemkul wrote:
>
>
> On 10/3/12 12:06 AM, naga sundar wrote:
>>
>> Dear Pramod
>>
>> use the command
>>
>> xmgrace -nxy file1.xvg file2.xvg
>>
>> Instead of file1 and file2 use ur file name.
>>
>
On 10/3/12 12:06 AM, naga sundar wrote:
Dear Pramod
use the command
xmgrace -nxy file1.xvg file2.xvg
Instead of file1 and file2 use ur file name.
Distance plots produced by g_dist have four data sets (distance and x,y,z
components)
Dear Pramod
use the command
xmgrace -nxy file1.xvg file2.xvg
Instead of file1 and file2 use ur file name.
On Tue, Oct 2, 2012 at 8:49 PM, ram bio wrote:
> Dear Gromacs users,
>
> I am trying to find inter atomic distances between ligand ato
Dear Gromacs users,
I am trying to find inter atomic distances between ligand atoms and
protein residues using Gromacs commands and could generate individual
xvg files, but could not figure out how to merge or show all the xvg
files in one graph using xmgrace.
Cold you please suggest?
Thanks and
On 5/30/12 7:47 AM, Marc Hömberger wrote:
Hi,
when I try the mentioned method for the GROMACs output (xvg file, supposedly
formatted for use with xmgrace) I am unable to print the standarddeviation. I f
I select the XYDY method it just ignores it and plots again an XY graph.
What I then did:
Hi,
when I try the mentioned method for the GROMACs output (xvg file,
supposedly formatted for use with xmgrace) I am unable to print the
standarddeviation. I f I select the XYDY method it just ignores it and
plots again an XY graph.
What I then did: I stripped the file so that only residue numbe
On 5/30/12 4:58 AM, Marc Hömberger wrote:
Hello,
I am currently analyzing a bunch of trajectories and one thing I am doing is to
use g_sas to generate the average and standard deviation per residue. The
resulting xvg file should be formatted for use with xmgrace but I do not seem to
be able to
Hello,
I am currently analyzing a bunch of trajectories and one thing I am doing
is to use g_sas to generate the average and standard deviation per residue.
The resulting xvg file should be formatted for use with xmgrace but I do
not seem to be able to get the standard deviation in the graph. I tr
On Fri, 8 Jul 2011 13:07:56 +0530
manoj gadhwal wrote:
> Hello to all,
>I am using the Gromacs 4.5.3 in Centos-5 and I
> need the xmgrace or Grace for plotting the graph for output file .
> But when I tried to install grace by the option *'yum install
> grace*', there was no f
On 8/07/2011 5:37 PM, manoj gadhwal wrote:
Hello to all,
I am using the Gromacs 4.5.3 in Centos-5 and I need
the xmgrace or Grace for plotting the graph for output file . But when
I tried to install grace by the option */'yum install grace/*', there
was no file to install. a
Hello to all,
I am using the Gromacs 4.5.3 in Centos-5 and I need the
xmgrace or Grace for plotting the graph for output file . But when I tried
to install grace by the option *'yum install grace*', there was no file to
install. and I am not able to install properly by the grace
Command is xmgrace and it needs to be in your $PATH.
On 13 May 2010 12:19, shahid nayeem wrote:
> Dear all
> I downloaded xmgr-4.1.2.tar.gz and tried to install by following commands.
> tar -xvzf xmgr-4.1.2.tar.gz
> cd xmgr-4.1.2
> ./configure
> make
> make install
> But it gives error command x
Dear all
I downloaded xmgr-4.1.2.tar.gz and tried to install by following commands.
tar -xvzf xmgr-4.1.2.tar.gz
cd xmgr-4.1.2
./configure
make
make install
But it gives error command xmgr not found.
Please help.
shahid Nayeem
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Henry
*From:* Jon Fuller
*To:* Discussion list for GROMACS users
*Sent:* Tue, December 8, 2009 11:53:25 AM
*Subject:* Re: [gmx-users] xmgrace plot
>From the command line you can type xmgrace file1.xvg file2.xvg (wher
Henry
From: Jon Fuller
To: Discussion list for GROMACS users
Sent: Tue, December 8, 2009 11:53:25 AM
Subject: Re: [gmx-users] xmgrace plot
>From the command line you can type xmgrace file1.xvg file2.xvg (where file1
>and file2 are the filenames!).
Jon
>From the command line you can type xmgrace file1.xvg file2.xvg (where file1
and file2 are the filenames!).
Jon
2009/12/8 Henry Yang
> Hello everyone,
>
> I am also new to xmgrace. I have two .xvg file which I have got from the
> simulation data analysis. How can I open both of them in one xmg
Hello everyone,
I am also new to xmgrace. I have two .xvg file which I have got from the
simulation data analysis. How can I open both of them in one xmgrace graph
with two distinct color? How can I proceed with the comand?
I know this is very basic but I have to learn!
Pls give me response.
pawan raghav wrote:
While running MD simulation I have number of queries mentioned below:
1. When executing xmgrace command it returns the bash command not found,
then how to install GRACE package on windows?
Visit the Grace website and follow whatever download and installation
instructio
While running MD simulation I have number of queries mentioned below:
1. When executing xmgrace command it returns the bash command not found,
then how to install GRACE package on windows?
2. When defining the box dimention then how do I know about the distance of
protein (207 residues) from the b
Hi,
On Thursday, 3. May 2007 22:07, Michal Walczak wrote:
> Dear Gromacs users,
>
> I'd like to ask if anyone could tell me how to open *.rms file in xmgrace,
> if it's possible of course or how to convert such a file into *.xvg? That
> *.rms file is an output from NWChem.
open it with your favou
Michal Walczak wrote:
Dear Gromacs users,
I'd like to ask if anyone could tell me how to open *.rms file in
xmgrace, if it's possible of course or how to convert such a file into
*.xvg? That *.rms file is an output from NWChem.
Are the xmgrace or NWChem mailing lists the right places to be a
Dear Gromacs users,
I'd like to ask if anyone could tell me how to open *.rms file in xmgrace,
if it's possible of course or how to convert such a file into *.xvg? That
*.rms file is an output from NWChem.
Best wishes,
Michal Walczak
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