[gmx-users] LJ System (reduced units) Tar files
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)?
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.
Paul CARDENAS LIZANA
g943189 at oz.nthu.edu.tw / paulclizana at gmail.com
National Tsing Hua University (ÇåÈA´óW)
I appreciate your help. Thanks!
Os agradezco la ayuda. Gracias!
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