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On 10/08/2011 1:21 PM, PAUL NEWMAN wrote:
<blockquote
cite="mid:CALmLiFpofjjYNd-8GXFXW5NE2A77sbij5zt5=AJix9C0Dkg_0A@mail.gmail.com"
type="cite">Hi Gromacs Users,<br>
<br>
I am using the gromacs analysing tools to analyze my DCD file
produced by NAMD. I set up the VMD_PLUGIN_PATH before running
however I got the error that the VMD_PLUGIN_PATH was not set up.
Can anyone give me a hand? Please see below the details. Thanks
for the help<br>
<br>
export VMD_PLUGIN_PATH=/home/pet/vmd/1.9/plugins/molfile<br>
</blockquote>
<br>
Are you using a shell where this works? What does "echo
$VMD_PLUGIN_PATH" say afterwards?<br>
<br>
Mark<br>
<br>
<blockquote
cite="mid:CALmLiFpofjjYNd-8GXFXW5NE2A77sbij5zt5=AJix9C0Dkg_0A@mail.gmail.com"
type="cite"><br>
g_gyrate_d -f protein.dcd -s ../IN/protein.pdb<br>
<br>
############################################<br>
<br>
The file format of protein.dcd is not a known trajectory format to
GROMACS.<br>
Please make sure that the file is a trajectory!<br>
GROMACS will now assume it to be a trajectory and will try to open
it using the VMD plug-ins.<br>
This will only work in case the VMD plugins are found and it is a
trajectory format supported by VMD.<br>
<br>
No VMD Plugins found<br>
Set the environment variable VMD_PLUGIN_PATH to the molfile folder
within the<br>
VMD installation.<br>
The architecture (e.g. 32bit versus 64bit) of Gromacs and VMD has
to match.<br>
<br>
-------------------------------------------------------<br>
Program g_gyrate_d, VERSION 4.5.3<br>
Source code file: trxio.c, line: 867<br>
<br>
Fatal error:<br>
Not supported in read_first_frame: protein.dcd<br>
For more information and tips for troubleshooting, please check
the GROMACS<br>
website at <a moz-do-not-send="true"
href="http://www.gromacs.org/Documentation/Errors">http://www.gromacs.org/Documentation/Errors</a><br>
-------------------------------------------------------<br>
<br>
"Lets Kill the Fucking Band" (Tom Savini - From Dusk til Dawn)<br>
<br>
############################################<br clear="all">
<br>
-- <br>
Cheers, <br>
<br>
Paul<br>
<br>
<br>
<br>
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<br>
</blockquote>
<br>
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