[gmx-users] g_sas Vdwradii.dat

maite lopez cabezas lopezmai at gmail.com
Sat Jun 7 21:04:34 CEST 2008

I'm using g_sas *to analyse a DPPC simulation but it gave the next warning:
WARNING: could not find a Van der Waals radius for 128 atoms
3840 out of 6400 atoms were classified as hydrophobic

I saw that the **Van der Waals radius for phophorous atoms doesn't
appear in vdwraddi.dat. When I modified it and add the **Van der Waals
radius* for this atom and then it works well. But, where were taken
the *Van der Waals radius* for Gromacs? Somebody knows the phophorous
radius for gromacs?
In the literature appears some valors and there aren't the same for
this programs, such as:

Gromacs         Other
N     0.110    0.155
O     0.105    0.152

Thank you in advance,
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