QM region input


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Hi Varnon,

I checked again my pdb file and the name and there are no typo Errors. The only difference is that I have some negative coordinates like this :

ATOM  141  H21   RE1     1       9.378   8.841   4.635  1.00  0.00           H
ATOM  142  H22   RE1     1       8.179   8.732   3.441  1.00  0.00           H
ATOM  143  H23   RE1     1      -0.852   6.433   1.492  1.00  0.00           H
ATOM  144  H24   RE1     1      12.560   6.433   1.492  1.00  0.00           H
ATOM  145  H25   RE1     1      -0.852   5.851   5.584  1.00  0.00           H
ATOM  146  H26   RE1     1      12.560   5.851   5.584  1.00  0.00           H
ATOM  147  H27   RE1     1      -0.852   1.757   6.692  1.00  0.00           H
ATOM  148  H28   RE1     1      12.560   1.757   6.692  1.00  0.00           H
ATOM  149  H29   RE1     1      -0.852   2.338   2.600  1.00  0.00           H
ATOM  150  H30   RE1     1      12.560   2.338   2.600  1.00  0.00           H


Is it Possible that i would be due to the space between the x coordinate and the number of segment?

Thank you a lot!
Guillaume