Ran Friedman wrote:
As far as I know most of this stuff is being worked on by Berk Hess.
In standard GROMACS you can use tabulated potentials for everything
bonded and non-bonded, if that helps overcome the harmonic-only problem.
In which version are tabulated potentials available?
non-bonded
> As far as I know most of this stuff is being worked on by Berk Hess.
> In standard GROMACS you can use tabulated potentials for everything
> bonded and non-bonded, if that helps overcome the harmonic-only problem.
In which version are tabulated potentials available?
Thanks,
Ran
___
Suman Chakrabarty wrote:
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
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 everyth
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.
Sec
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.
__
there is dpdmacs available..
Regards,
Yang Ye
- Original Message
From: Suman Chakrabarty <[EMAIL PROTECTED]>
To: Discussion list for GROMACS users
Sent: Monday, September 1, 2008 5:50:15 PM
Subject: [gmx-users] Dissipative Particle Dynamics (DPD)
Dear all,
since one of my
Dear all,
since one of my mails with multiple questions went completely unanswered
( http://www.mail-archive.com/gmx-users@gromacs.org/msg15437.html ), let
me try this time with more specific question.
Is there any chance of Dissipative Particle Dynamics (DPD) being
incorporated in Gromacs as a c
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