/usr/share/gromacs/top/vdw-msms.dat is in gromacs-data 4.6.5-1build1.
This file is owned by root:root, with mode 0o644.
The actual contents of the file can be viewed below.
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 | ; Very approximate VanderWaals radii
; only used for drawing atoms as balls or for calculating atomic overlap.
; longest matches are used
; '???' or '*' matches any residue name
; 'AAA' matches any protein residue name
;
; Used new values from the MSMS program Revision: 1.13
;
??? C 0.174
??? F 0.14
??? H 0.12
??? N 0.154
??? O 0.14
??? S 0.18
GLY MN1 0
GLY MN2 0
ALA MCB1 0
ALA MCB2 0
VAL MCG1 0
VAL MCG2 0
ILE MCG1 0
ILE MCG2 0
ILE MCD1 0
ILE MCD2 0
LEU MCD1 0
LEU MCD2 0
MET MCE1 0
MET MCE2 0
TRP MTRP1 0
TRP MTRP2 0
THR MCG1 0
THR MCG2 0
LYSH MNZ1 0
LYSH MNZ2 0
|