[gmx-users] LJ System (reduced units) Tar files

PAUL NEWMAN paulclizana at gmail.com
Wed Jul 12 16:40:59 CEST 2006


>The potential looks ok to me.
>The potential energy is for the whole system.
>Did you think that you would get the average energy per atom
(difference of a factor 864)?
>Berk.

Hi Berk:
Yes I did. I thought the energy ,that gromacs gives, is per atom. Now what
you say makes sense. I divided the potential over 864 (number of atoms ) and
I get the potential of the reference.  Thank you very much Berk.
-- 
Cheers,

Paul CARDENAS LIZANA
g943189 at oz.nthu.edu.tw / paulclizana at gmail.com
National Tsing Hua University (ÇåÈA´óŒW)

ÖxÖxÄãµÄŽÍæ
I appreciate your help. Thanks!
Os agradezco la ayuda. Gracias!
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20060712/df6d4ac6/attachment.html>


More information about the gromacs.org_gmx-users mailing list