Hi ALL,
I made a prepin file for a modified ASP residue. When I loaded into
leap, I got the message " 0 pairs of atoms within potential bonding
distance, 0 are not H-H pairs". What does this mean? Any suggestion
will be highly appreciated.
Youyi Peng
The following is my new prepin file:
0 0 2
Modified ASP residue
AMP.res
AMP INT 1
CORR OMIT DU BEG
0.00000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.000 0.00000
2 DUMM DU M 1 0 -1 1.449 0.000 0.000 0.00000
3 DUMM DU M 2 1 0 1.522 111.100 0.000 0.00000
4 N N M 3 2 1 1.335 116.600 180.000 -0.52630
5 H H E 4 3 2 1.010 119.800 0.000 0.29360
6 CA CT M 4 3 2 1.449 121.900 180.000 0.03810
7 HA H1 E 6 4 3 1.090 109.500 300.000 0.08800
8 CB CT 3 6 4 3 1.525 111.100 60.000 -0.05030
9 HB2 HC E 8 6 4 1.090 109.500 300.000 -0.01220
10 HB3 HC E 8 6 4 1.090 109.500 60.000 -0.01220
11 CG C B 8 6 4 1.527 109.470 180.000 1.10344
12 OD1 O2 E 11 8 6 1.260 117.200 90.000 -0.83162
13 OD2 O2 E 11 8 6 1.260 117.200 270.000 -0.84329
14 C C M 6 4 3 1.522 111.100 180.000 0.51660
15 O O E 14 6 4 1.229 120.500 0.000 -0.60190
IMPROPER
-M CA N H
CA +M C O
CB OD1 CG OD2
DONE
STOP
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Received on Wed Jan 14 2004 - 15:53:14 PST
