Hello;
I am using ptraj to calculate water density. It gives density, but It
also gives a few 3D coordinates, I wish to know what is this coordinate.
Here is output information..
PTRAJ RMS: dumping RMSd vs time data
PTRAJ GRID dumping atomic density
PTRAJ GRID: grid max is 1696.000
dumping a pseudo-pdb representing all points > 1356.800
HETATM 1 XX XXX 1 1.250 -4.250 1.250
HETATM 2 XX XXX 2 -7.750 3.750 1.750
HETATM 3 XX XXX 3 -7.750 3.750 2.250
HETATM 4 XX XXX 4 -5.250 -2.750 3.250
Please, any one tell me what is this coordinate.
Thanking you,
Navnit
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Received on Wed May 24 2006 - 06:07:10 PDT
