AMBER Archive (2006)

Subject: AMBER: Water density output

From: Navnit Kumar Mishra (navnit_at_chemi.muni.cz)
Date: Mon May 22 2006 - 06:02:48 CDT

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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