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<font size="+1"><font face="Arial">Dear Tsjerk,<br>
<br>
thanks for your response. It makes sense.<br>
<br>
Once I am through with my current project that I am busy with, I might
take up this implementation more seriously and actively. By that time I
need to be in a position to be able to look into the Gromacs source
code and understand how everything works. That would be an interesting
project in itself! :)<br>
<br>
For the time being I am in urgent need of an already implemented
package and may be I'd go look into LAMMPS for help.<br>
<br>
<br>
Best regards,<br>
Suman.<br>
<br>
</font></font><br>
Tsjerk Wassenaar wrote:
<blockquote
cite="mid:8ff898150809020010j7828bcel9944a312649ea42f@mail.gmail.com"
type="cite">
<pre wrap="">Hi Suman,
I think this discussion would be better placed on the developers-list
(but I'm not sure you're subscribed to that so I'll keep it here).
First, I think it's not a good idea (and it's against Gromacs
philosophy) to remove functionality, as this will disallow repeating
earlier studies.
Second, it may be a good idea to implement DPD, but you'll either have
to wait until one of the developers feels like implementing it, needs
it for it's own research or you'll have to take up the effort to write
an implementation, which can then (if approved of) be added to the
main version. Each of the developers has its own research projects and
it hardly ever works just asking something you need to be implemented,
without providing the implementation.
Maybe a bit disappointing, sorry.
Cheers,
Tsjerk
On Tue, Sep 2, 2008 at 7:39 AM, Suman Chakrabarty
<a class="moz-txt-link-rfc2396E" href="mailto:suman@sscu.iisc.ernet.in"><suman@sscu.iisc.ernet.in></a> wrote:
</pre>
<blockquote type="cite">
<pre wrap="">Yang Ye wrote:
there is dpdmacs available..
Yes, I know. But that seems to support only harmonic potential for even
non-bonded interaction (DPD manual page 4-5), which is rather unphysical and
not suitable for my purpose.
Regards,
Suman Chakrabarty.
</pre>
</blockquote>
</blockquote>
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