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On 28/10/2011 11:21 AM, Sanku M wrote:
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<div><span>Do you mean converting the gromacs trajectory into
pdb file and using vmd to convert the pdb into desmond
trajectory ?</span></div>
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<br>
That's one possibility, yes. Or if VMD can natively write Desmond
format, you can link GROMACS with VMD libraries and write directly
to Desmond format, I suspect.<br>
<br>
Mark<br>
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<hr size="1"><b><span style="font-weight:bold;">From:</span></b>
Mark Abraham <a class="moz-txt-link-rfc2396E" href="mailto:Mark.Abraham@anu.edu.au"><Mark.Abraham@anu.edu.au></a><br>
<b><span style="font-weight: bold;">To:</span></b>
Discussion list for GROMACS users
<a class="moz-txt-link-rfc2396E" href="mailto:gmx-users@gromacs.org"><gmx-users@gromacs.org></a><br>
<b><span style="font-weight: bold;">Sent:</span></b>
Thursday, October 27, 2011 7:16 PM<br>
<b><span style="font-weight: bold;">Subject:</span></b>
Re: [gmx-users] How to convert a gromacs trajectory to
Desmond trajectory format<br>
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<div> On 28/10/2011 9:46 AM, Sanku M wrote:
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<div>Hi,</div>
<div> I was looking for some way out for
converting the trajectory-files back and forth
between two softwares between gromacs and
Desmond. </div>
<div>More specifically, if I run a simulation for a
particular system using gromacs 4.5.4 , how can I
convert it into Desmond trajectory file format ?</div>
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<br>
There are so many interconversion tools that there must
be some intermediate format that both can read and
write. At worst, PDB.<br>
<br>
Mark </div>
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