[gmx-users] problem with genconf

[Albert Sun]

Thanks, David !
How to equilibrate with freshly generated velocities?
 
Regards,
 


David <spoel at xray.bmc.uu.se> wrote:
On Wed, 2004-06-09 at 20:45, Albert Sun wrote:
> Dear Users.
> 
> The problem is solved beause I used the same file name in genconf.
> 
> I have another inquery on genconf. It is said that genconf multiplies
> a given coordinate file by simply stacking them on top of each other,
> like child playing wood blocks. It is OK for positions of atoms. 
> However, I found the velocity for all blocks are exactly the same, is
> it correct ?
just equilibrate for a while with freshly generated velocities. if you
have a lot of order in your original system you may need to equilibrate
long.
> 
> Thanks in advance.
> 
> Regards,
> 
> Albert. 
> 
> 
> 
> ______________________________________________________________________
> Do you Yahoo!?
> Friends. Fun. Try the all-new Yahoo! Messenger
> 
> ______________________________________________________________________
> _______________________________________________
> 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.
-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. 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!?
Tired of spam?  Yahoo! Mail has the best spam protection around 
http://mail.yahoo.com 
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20040610/5be0b7a2/attachment.html>