[gmx-developers] atommass.dat

Berk Hess gmx3 at hotmail.com
Tue Jun 17 16:59:07 CEST 2003

>that may be so, but I want to scale a box to a certain density without
>too much thinking, so editconf -density would be a good way.

I agree.

>If we have to choose then I would prefer to have normal atoms rather
>than united.

In principle I would prefer that as well, but many solvent models
(for instance methanol and dmso) and lipid models contain united atoms.
It is more important to get the solvent density right than the protein that
is dissolved in it.


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