[gmx-users] Acceleration Line

[Albert Sun]

How to avoid removing the centre of mass motion?


David <spoel at xray.bmc.uu.se> wrote:
On Fri, 2003-11-07 at 03:13, Albert Sun wrote:
> Dear Users,
> 
> I found that accelerate line did not work when mdrun.
> 
> In these mdruns, I did not apply pressure coupling, and temperature
> coupling.
> 
> I tested 4 accelerate values respectively from 1.0e-5, 1.0, 1.0e10 
> to 1.0e+25 for whole system.
> 
> the system has no movement.
> 
> Do you think it is right?
you probably are removing the center of mass motion
units are MD units (chapter 2)
> 
> Thanks
> 
> Albert
> 
> 
> 
> 
> 
> 
> 
> 
> 
> ______________________________________________________________________
> Do you Yahoo!?
> Protect your identity with Yahoo! Mail AddressGuard
-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assist. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
spoel at xray.bmc.uu.se spoel at gromacs.org http://xray.bmc.uu.se/~spoel
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++

_______________________________________________
gmx-users mailing list
gmx-users at gromacs.org
http://www.gromacs.org/mailman/listinfo/gmx-users
Please don't post (un)subscribe requests to the list. Use the 
www interface or send it to gmx-users-request at gromacs.org.

---------------------------------
Do you Yahoo!?
Protect your identity with Yahoo! Mail AddressGuard
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20031107/f486680f/attachment.html>