[gmx-users] how to make pdb2gmx to read GLUH
コウ チ
caoch_57 at hotmail.com
Thu Sep 9 10:24:56 CEST 2004
hello:
i used pdb2gmx to creat a .top file which contains GLUH. it seems pdb2gmx
only read the first three character codes that i can not creat a
protonated GLU top file. i have tried to use different format file (ex:
.gro .g96 .pdb) and every trial failed.
the .gro file is:
36
1GLUH N 1 1.975 -0.703 -1.325
1GLUH CA 2 1.902 -0.600 -1.399
1GLUH C 3 1.851 -0.654 -1.532
1GLUH O 4 1.741 -0.625 -1.581
1GLUH CB 5 1.990 -0.478 -1.426
1GLUH CG 6 1.918 -0.366 -1.500
1GLUH CD 7 1.813 -0.295 -1.416
1GLUH OE1 8 1.792 -0.334 -1.300
1GLUH OE2 9 1.751 -0.197 -1.467
1GLUH H 10 2.062 -0.695 -1.314
1GLUH HE2 11 1.773 -0.189 -1.548
2ALA .....
is there something wrong with this format?how can i resolve it ?
thank you for help
regards
caoch
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