Hi Gokul,
RAMD is not implemented in AMBER10. It was originally implemented in
AMBER8. Afterwords, between AMBER8 and AMBER9 some major changes
occurred and there was nobody in the group to be good in FORTRAN.
Therefore, the patch was not ported.
Of course it would be great if somebody would port it to AMBER10. And it
would be even nicer if it would be distributed with AMBER in the future.
But as I am poor in FORTRAN, I do not plan to do anything on that. We
also do not have anybody else who can do that.
In the meantime, I implemented RAMD in NAMD and I believe it will be
included in the 2.7 stable release of NAMD. The scripts for running RAMD
in NAMD with documentation and examples may be downloaded on our website
(
http://projects.villa-bosch.de/mcm/software/namd/). In principle, they
may be run with any version of NAMD.
If you decide to go on and port RAMD to AMBER10, we can offer support in
terms of testing, comparing with older results (the ones we have
experience with) and so on ...
Best wishes
Vlad
gokul algates wrote:
> Dear All
> I have an amber 10v package. i would like to patch RAMD but it is available only for amber 8. Is that RAMD is implimented in amber 10. or any other way to patch RAMD
>
> Thanking you
> E R Azhaigya singam
>
>
> Your Mail works best with the New Yahoo Optimized IE8. Get it NOW! http://downloads.yahoo.com/in/internetexplorer/
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
>
--
----------------------------------------------------------------------------
Dr. Vlad Cojocaru
Heidelberg Institute for Theoretical Studies
HITS gGmbH
Molecular and Cellular Modelling Group
Schloss-Wolfsbrunnenweg 35
69118 Heidelberg
Tel: ++49-6221-533202
Fax: ++49-6221-533298
e-mail:Vlad.Cojocaru[at]h-its.org
http://projects.villa-bosch.de/mcm/people/cojocaru/
----------------------------------------------------------------------------
Amtgericht Mannheim / HRB 337446
Managing Directors: Dr. h.c. Klaus Tschira, Prof. Dr.-Ing. Andreas Reuter
http://www.h-its.org (http://eml-research.de)
----------------------------------------------------------------------------
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Feb 11 2010 - 07:00:04 PST
