>The potential looks ok to me.Hi Berk:
>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.
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.
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Cheers,
Paul CARDENAS LIZANA
[EMAIL PROTECTED] / [EMAIL PROTECTED]
National Tsing Hua University (清�A大�W)
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I appreciate your help. Thanks!
Os agradezco la ayuda. Gracias!
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