extra lines in PSF !!!

From: Georgios Papadopoulos (papg_at_chem.auth.gr)
Date: Fri Feb 10 2006 - 11:47:10 CST

Dear list,
does anybody knows a reason why psfgen generated a pdb file
with 6 additional atom records for URA with 0.000 coordinates?
Here are the first lines of the pdb and psf files respectively:

PDB

REMARK original generated coordinate pdb file

ATOM 1 N URA 5 0.000 0.000 0.000 -1.00 0.00 A

ATOM 2 HT1 URA 5 0.000 0.000 0.000 -1.00 0.00 A

ATOM 3 HT2 URA 5 0.000 0.000 0.000 -1.00 0.00 A

ATOM 4 HT3 URA 5 0.000 0.000 0.000 -1.00 0.00 A

ATOM 5 CA URA 5 0.000 0.000 0.000 -1.00 0.00 A

ATOM 6 HA URA 5 0.000 0.000 0.000 -1.00 0.00 A

ATOM 7 P URA 5 68.174 2.856 22.013 1.00 0.00 A

ATOM 8 O1P URA 5 67.040 2.445 22.937 1.00 0.00 A

ATOM 9 O2P URA 5 67.797 3.994 21.078 1.00 0.00 A

ATOM 10 O5' URA 5 69.075 2.423 22.019 0.00 0.00 A

........

PSF

1 !NTITLE

REMARKS original generated structure x-plor psf file

87671 !NATOM

1 A 5 URA N NH3 -0.300000 14.0070 0

2 A 5 URA HT1 HC 0.330000 1.0080 0

3 A 5 URA HT2 HC 0.330000 1.0080 0

4 A 5 URA HT3 HC 0.330000 1.0080 0

5 A 5 URA CA CT1 0.210000 12.0110 0

6 A 5 URA HA HB 0.100000 1.0080 0

7 A 5 URA P P 1.500000 30.9740 0

8 A 5 URA O1P ON3 -0.780000 15.9994 0

9 A 5 URA O2P ON3 -0.780000 15.9994 0

10 A 5 URA O5' ON2 -0.570000 15.9994 0

......

Bye

G.Papadopoulos

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