Hi AMBER users
I am having the following error when I try to load my pdb file with CAP residues:
Error: name mismatch: ACE in the library do not have atom H1
This is my pdb file:
Thank you,
Susana
HEADER
COMPND
SOURCE
ATOM 1 CH3 ACE 1 0.000 0.000 0.000
ATOM 2 C ACE 1 0.000 0.000 1.510
ATOM 3 O ACE 1 1.029 0.000 2.166
ATOM 4 H1 ACE 1 1.056 0.000 -0.341
ATOM 5 H2 ACE 1 -0.498 0.932 -0.341
ATOM 6 H3 ACE 1 -0.498 -0.932 -0.341
ATOM 7 N GLY 2 -1.236 0.000 2.027
ATOM 8 CA GLY 2 -1.447 0.000 3.472
ATOM 9 C GLY 2 -2.510 -0.993 3.879
ATOM 10 O GLY 2 -3.570 -1.099 3.284
ATOM 11 H GLY 2 -2.026 0.000 1.381
ATOM 12 1HA GLY 2 -0.503 -0.281 3.984
ATOM 13 2HA GLY 2 -1.779 1.008 3.798
ATOM 14 N NME 3 -2.154 -1.723 4.944
ATOM 15 CH3 NME 3 -3.048 -2.740 5.491
ATOM 16 H NME 3 -1.240 -1.548 5.362
ATOM 17 H1 NME 3 -2.566 -3.225 6.365
ATOM 18 H2 NME 3 -3.261 -3.503 4.714
ATOM 19 H3 NME 3 -3.999 -2.264 5.810
END
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Received on Wed Apr 08 2009 - 01:16:07 PDT
