Dear Tsjerk, thanks for your response. It makes sense.
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! :) 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. Best regards, Suman. Tsjerk Wassenaar wrote: > 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 > <[EMAIL PROTECTED]> wrote: > >> 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. >> >>
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