[gmx-users] Reg. g_density
tsjerkw at gmail.com
Sat Jun 6 11:40:42 CEST 2009
If you provide a .tpr file, the masses will be read from there.
Otherwise, when providing a .gro/.pdb file or so, masses will be read
from the file atommass.dat in the GMX library directory.
On Sat, Jun 6, 2009 at 11:25 AM, Jagan Mohan<o.jagan at gmail.com> wrote:
> Hey everyone,
> I would like to know from where does the g_density read the masses and radii
> of atoms to calculate the density... We do provide a tpr file but from where
> does it refer to and add these masses... I have a system for which i have a
> topology... i use this for the generation of tpr but will the masses be
> considered from this topology... Please do help me out...
> Thanks in advance
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Tsjerk A. Wassenaar, Ph.D.
Junior UD (post-doc)
Biomolecular NMR, Bijvoet Center
3584 CH Utrecht
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